Chemical ID: 6220080

CCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
Chemical ID:
6220080
Name [?]:
methyl 4-[[4-(4-ethoxyphenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C20H18N2O4S/c1-3-26-16-10-8-13(9-11-16)17-12-27-20(21-17)22-18(23)14-4-6-15(7-5-14)19(24)25-2/h4-12H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,2,19,23,20,22,6,8,5,9,11,7,18,21,4,10,16,24,13,14,15,17,25,26,3,12/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCOCCCCCCCCSCNNCOCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;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:11.0905
Area:623.326
Solvation:-4.49268
Coulombic:-55.261
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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