ChemDB: Chemical Search
Download
Chemical ID: 5280108
Chemical ID:
5280108
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C27H32N2O3/c1-5-28(6-2)16-9-17-29-24(20-14-12-19(13-15-20)18(3)4)23-25(30)21-10-7-8-11-22(21)32-26(23)27(29)31/h7-8,10-15,18,24H,5-6,9,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,31,32,2,4,16,17,7,15,18,26,28,25,29,6,8,30,27,24,14,19,11,10,12,21,22,3,9,13,23,20/E:(1,2)(3,4)(5,6)(12,13)(14,15)/rA:32cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7927 |
Area: | 649.737 |
Solvation: | -3.45068 |
Coulombic: | -42.0195 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.57 |
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 |
---|