Chemical ID: 6216850

COc1ccc(cc1OC)c2csc(n2)NC(=O)c3cccc(c3)Cl
Chemical ID:
6216850
Name [?]:
3-chloro-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1OC)c2csc(n2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-15-7-6-11(9-16(15)24-2)14-10-25-18(20-14)21-17(22)12-4-3-5-13(19)8-12/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,5,4,24,7,12,6,19,23,11,3,8,17,14,25,15,16,18,2,9,13/rA:25nCOCCCCCCOCCCSCNNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.87522
Area:584.947
Solvation:-5.74845
Coulombic:-42.21
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):4.46

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