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Chemical ID: 5062598
Chemical ID:
5062598
Name [?]:
ethyl 4-(2-oxo-1,2-diphenyl-ethyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(c2ccccc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H21NO3/c1-2-27-23(26)19-13-15-20(16-14-19)24-21(17-9-5-3-6-10-17)22(25)18-11-7-4-8-12-18/h3-16,21,24H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,25,16,18,24,26,15,19,23,27,7,11,8,10,14,22,6,9,13,20,4,12,21,5,3/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:27cCCOCOCCCCCCNCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s13;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7001 |
Area: | 596.515 |
Solvation: | -3.21282 |
Coulombic: | -44.2619 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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