Chemical ID: 6556195

Cc1ccccc1C(=O)OCC(=O)Nc2cccc(c2)C(=O)C
Chemical ID:
6556195
Name [?]:
(3-acetylphenyl)carbamoylmethyl 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)OCC(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C18H17NO4/c1-12-6-3-4-9-16(12)18(22)23-11-17(21)19-15-8-5-7-14(10-15)13(2)20/h3-10H,11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,4,5,17,3,18,16,6,20,11,2,21,19,15,7,12,8,14,22,13,9,10/rA:23nCCCCCCCCOOCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.7751
Area:530.234
Solvation:-4.48074
Coulombic:-48.4679
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.332
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.97
LogP (Chemaxon):2.45

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Descriptor Annotations

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