ChemDB: Chemical Search
Download
Chemical ID: 6629624
Chemical ID:
6629624
Name [?]:
[1-[[2-(4-allyl-2-methoxy-phenoxy)acetyl]aminoiminomethyl]-2-naphthyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc4ccc(cc4OC)CC=C
InChi [?]:
InChI=1/C32H30N2O6/c1-4-8-22-11-17-29(30(19-22)37-3)39-21-31(35)34-33-20-27-26-10-7-6-9-23(26)14-18-28(27)40-32(36)24-12-15-25(16-13-24)38-5-2/h4,6-7,9-20H,1,5,8,21H2,2-3H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:40,1,37,39,2,18,19,38,17,20,32,6,8,15,5,9,31,14,34,23,28,33,16,7,4,21,22,13,30,35,26,10,24,25,27,11,36,3,29,12/E:(12,13)(15,16)/rA:40nCCOCCCCCCCOOCCCCCCCCCCCNNCOCOCCCCCCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s22;w23;s24;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;s35;s36;s33;s38;d39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H30N2O6 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7578 |
Area: | 819.76 |
Solvation: | -9.73625 |
Coulombic: | -62.2227 |
Bond Count [?]
All: | 43 |
Single: | 28 |
Double: | 15 |
Rotors: | 14 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 538.59 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 7.72 |
LogP (Chemaxon): | 6.13 |
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 |
---|