Chemical ID: 6266701

COc1cccc(c1)c2csc(n2)NC(=O)c3cc(cc(c3)OC)OC
Chemical ID:
6266701
Name [?]:
3,5-dimethoxy-N-[4-(3-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cccc(c1)c2csc(n2)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-6-4-5-12(7-14)17-11-26-19(20-17)21-18(22)13-8-15(24-2)10-16(9-13)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,5,6,4,8,22,18,20,10,7,17,3,21,19,9,15,12,13,14,16,2,23,25,11/E:(2,3)(8,9)(15,16)(24,25)/rA:26nCOCCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.35436
Area:586.489
Solvation:-6.30787
Coulombic:-47.953
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):3.69

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Descriptor Annotations

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