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Chemical ID: 6561281
Chemical ID:
6561281
Name [?]:
phenylcarbamoylmethyl 2-anilinobenzoate
SMILES [?]:
c1ccc(cc1)Nc2ccccc2C(=O)OCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H18N2O3/c24-20(23-17-11-5-2-6-12-17)15-26-21(25)18-13-7-8-14-19(18)22-16-9-3-1-4-10-16/h1-14,22H,15H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,11,10,3,5,22,26,12,9,17,4,21,13,8,18,14,7,20,19,15,16/E:(3,4)(5,6)(9,10)(11,12)/rA:26nCCCCCCNCCCCCCCOOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.507 |
Area: | 568.577 |
Solvation: | -3.70745 |
Coulombic: | -53.8587 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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