Chemical ID: 6560863

COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2cccc(c2)Cl
Chemical ID:
6560863
Name [?]:
(3-chlorophenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H16ClNO4/c1-23-16-8-5-13(6-9-16)7-10-18(22)24-12-17(21)20-15-4-2-3-14(19)11-15/h2-11H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,5,7,9,4,8,10,23,14,6,22,18,3,15,11,24,17,16,12,2,13/E:(5,6)(8,9)/rA:24nCOCCCCCCCCCOOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.12458
Area:560.396
Solvation:-4.88531
Coulombic:-48.2757
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:345.777
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):3.53

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