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Chemical ID: 6876122
Chemical ID:
6876122
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 4-phenylbenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(cc2)c3ccccc3)C
InChi [?]:
InChI=1/C23H21NO3/c1-16-8-9-17(2)21(14-16)24-22(25)15-27-23(26)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,24,23,25,22,26,3,4,17,19,16,20,7,11,2,5,21,18,15,6,9,13,8,10,14,12/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCCCCNCOCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO3 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.671 |
Area: | 604.216 |
Solvation: | -3.43443 |
Coulombic: | -43.5768 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.3 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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