ChemDB: Chemical Search
Download
Chemical ID: 6010678
Chemical ID:
6010678
Name [?]:
N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)C=Cc4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C31H32N4O4/c1-39-27-15-13-25(14-16-27)32-28(36)22-34-23-35(26-10-6-3-7-11-26)31(30(34)38)18-20-33(21-19-31)29(37)17-12-24-8-4-2-5-9-24/h2-17H,18-23H2,1H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,31,37,30,32,36,38,29,33,35,39,27,5,7,4,8,26,19,23,20,22,12,14,28,6,34,3,10,24,17,16,9,21,13,15,11,25,18,2/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)(18,19)(20,21)/rA:39cCOCCCCCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s13s16;d17;s16;s19;s20;s21;s16s22;s21;d24;s24;w26;s27;s28;d29;s30;d31;d28s32;s15;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H32N4O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4486 |
Area: | 758.929 |
Solvation: | -6.52463 |
Coulombic: | -69.8531 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 524.61 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|