Chemical ID: 6261048

COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccccc3I
Chemical ID:
6261048
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-2-iodo-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccccc3I
InChi [?]:
InChI=1/C18H15IN2O3S/c1-23-11-7-8-13(16(9-11)24-2)15-10-25-18(20-15)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,4,5,8,12,3,19,6,24,11,7,17,14,25,15,16,18,2,9,13/rA:25nCOCCCCCCOCCCSCNNCOCCCCCCI/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.19019
Area:577.671
Solvation:-5.25158
Coulombic:-41.1228
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.294
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.93

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