ChemDB: Chemical Search
Download
Chemical ID: 7335273
Chemical ID:
7335273
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OCc3ccccc3)NC(=O)c4cccc(c4)C
InChi [?]:
InChI=1/C31H30N2O4/c1-21-9-7-13-25(17-21)30(34)32-29(33-31(35)26-14-8-10-22(2)18-26)24-15-16-27(28(19-24)36-3)37-20-23-11-5-4-6-12-23/h4-19,29H,20H2,1-3H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,37,19,25,24,26,4,33,3,34,23,27,5,32,13,14,7,36,17,21,2,35,22,12,6,31,15,16,11,8,29,10,28,9,30,18,20/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(21,22)(25,26)(30,31)(32,33)(34,35)/gE:(1,2)/rA:37cCCCCCCCCONCCCCCCCOCOCCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s22;d23;s24;d25;d22s26;s11;s28;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H30N2O4 |
All Atoms: | 67 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4238 |
Area: | 780.163 |
Solvation: | -7.08028 |
Coulombic: | -61.522 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 494.581 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.03 |
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 |
---|