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Chemical ID: 6617863
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
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Experimental Annotations
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Descriptor Annotations
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