Chemical ID: 6264633

COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)Br)OC
Chemical ID:
6264633
Name [?]:
4-bromo-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)Br)OC
InChi [?]:
InChI=1/C18H15BrN2O3S/c1-23-13-7-8-16(24-2)14(9-13)15-10-25-18(20-15)21-17(22)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,18,22,19,21,4,5,8,10,17,20,3,7,9,6,15,12,23,13,14,16,2,24,11/E:(3,4)(5,6)/rA:25nCOCCCCCCCCSCNNCOCCCCCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.09776
Area:572.706
Solvation:-5.21989
Coulombic:-41.1755
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.293
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.46
LogP (Chemaxon):4.73

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