Chemical ID: 6617863

Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccccc2Nc3ccccc3
Chemical ID:
6617863
Name [?]:
(2,4-dimethylphenyl)carbamoylmethyl 2-anilinobenzoate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccccc2Nc3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-16-12-13-20(17(2)14-16)25-22(26)15-28-23(27)19-10-6-7-11-21(19)24-18-8-4-3-5-9-18/h3-14,24H,15H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,26,25,27,18,19,24,28,17,20,3,4,7,12,2,6,23,16,5,21,10,14,22,9,11,15,13/E:(4,5)(8,9)/rA:28nCCCCCCCCNCOCOCOCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5982
Area:610.114
Solvation:-3.65467
Coulombic:-53.5614
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.432
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.0
LogP (Chemaxon):4.86

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