Chemical ID: 6717346

COc1ccc(cc1)CNC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-]
Chemical ID:
6717346
Name [?]:
3-[(4-methoxyphenyl)methylcarbamoylmethyl]-1H-indole-2-carboxylate
SMILES [?]:
COc1ccc(cc1)CNC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-]
InChi [?]:
InChI=1/C19H18N2O4/c1-25-13-8-6-12(7-9-13)11-20-17(22)10-15-14-4-2-3-5-16(14)21-18(15)19(23)24/h2-9,21H,10-11H2,1H3,(H,20,22)(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,5,7,4,8,13,9,6,3,15,14,20,11,22,23,10,21,12,24,25,2/E:(6,7)(8,9)(23,24)/rA:25nCOCCCCCCCNCOCCCCCCCCNCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N2O4-
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-30.4891
Area:553.5
Solvation:-44.3266
Coulombic:-41.8681
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.349
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.08
LogP (Chemaxon):2.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue