Chemical ID: 6264826

COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC)OC
Chemical ID:
6264826
Name [?]:
methyl 4-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC)OC
InChi [?]:
InChI=1/C20H18N2O5S/c1-25-14-8-9-17(26-2)15(10-14)16-11-28-20(21-16)22-18(23)12-4-6-13(7-5-12)19(24)27-3/h4-11H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,28,26,18,22,19,21,4,5,8,10,17,20,3,7,9,6,15,23,12,13,14,16,24,2,27,25,11/E:(4,5)(6,7)/rA:28nCOCCCCCCCCSCNNCOCCCCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s6;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.3432
Area:624.271
Solvation:-6.26357
Coulombic:-60.2415
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:398.433
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.6
LogP (Chemaxon):3.49

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Descriptor Annotations

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