Chemical ID: 6891721

Cc1ccc(cc1Cl)NC(=O)COC(=O)c2cccc(c2)OC
Chemical ID:
6891721
Name [?]:
(3-chloro-4-methyl-phenyl)carbamoylmethyl 3-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COC(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C17H16ClNO4/c1-11-6-7-13(9-15(11)18)19-16(20)10-23-17(21)12-4-3-5-14(8-12)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,18,17,19,3,4,21,6,12,2,16,5,20,7,10,14,8,9,11,15,22,13/rA:23nCCCCCCCClNCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO4
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.37979
Area:550.235
Solvation:-4.37608
Coulombic:-48.3939
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.766
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.46
LogP (Chemaxon):3.41

Name Annotations

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Descriptor Annotations

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