Chemical ID: 6219960

COc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
Chemical ID:
6219960
Name [?]:
methyl 4-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C19H16N2O4S/c1-24-15-9-7-12(8-10-15)16-11-26-19(20-16)21-17(22)13-3-5-14(6-4-13)18(23)25-2/h3-11H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,18,22,19,21,5,7,4,8,10,6,17,20,3,9,15,23,12,13,14,16,24,2,25,11/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCOCCCCCCCCSCNNCOCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.31
Area:595.892
Solvation:-4.58726
Coulombic:-54.9968
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.407
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.68
LogP (Chemaxon):3.74

Name Annotations

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Descriptor Annotations

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