Chemical ID: 6147010

Cc1c(cccc1Cl)NC(=O)COC(=O)C=Cc2ccc(cc2)OC
Chemical ID:
6147010
Name [?]:
(3-chloro-2-methyl-phenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COC(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H18ClNO4/c1-13-16(20)4-3-5-17(13)21-18(22)12-25-19(23)11-8-14-6-9-15(24-2)10-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,5,6,4,19,23,17,20,22,16,12,2,18,21,7,3,10,14,8,9,11,15,24,13/E:(6,7)(9,10)/rA:25nCCCCCCCClNCOCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.6979
Area:577.459
Solvation:-4.73858
Coulombic:-48.4093
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:359.803
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.35

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