Chemical ID: 6263748

Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
Chemical ID:
6263748
Name [?]:
methyl 4-[[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C20H18N2O4S/c1-12-10-15(8-9-17(12)25-2)16-11-27-20(21-16)22-18(23)13-4-6-14(7-5-13)19(24)26-3/h4-11H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,27,19,23,20,22,5,6,3,11,2,18,21,4,10,7,16,24,13,14,15,17,25,8,26,12/E:(4,5)(6,7)/rA:27nCCCCCCCOCCCSCNNCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6442
Area:610.124
Solvation:-4.60891
Coulombic:-54.8582
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):4.21

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Descriptor Annotations

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