Chemical ID: 6945234

CCCCc1ccc2c(c1)sc(n2)NC(=O)c3cc4ccccc4o3
Chemical ID:
6945234
Name [?]:
N-(6-butylbenzothiazol-2-yl)benzofuran-2-carboxamide
SMILES [?]:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C20H18N2O2S/c1-2-3-6-13-9-10-15-18(11-13)25-20(21-15)22-19(23)17-12-14-7-4-5-8-16(14)24-17/h4-5,7-12H,2-3,6H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,22,4,20,23,6,7,10,18,5,19,8,24,17,9,15,12,13,14,16,25,11/rA:25nCCCCCCCCCCSCNNCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9976
Area:577.039
Solvation:-2.42843
Coulombic:-38.8495
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):6.14

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