Chemical ID: 4457035

CCCCOc1cccc(c1)C(=O)Nc2nc3ccc(cc3s2)Cl
Chemical ID:
4457035
Name [?]:
3-butoxy-N-(6-chlorobenzothiazol-2-yl)-benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)Nc2nc3ccc(cc3s2)Cl
InChi [?]:
InChI=1/C18H17ClN2O2S/c1-2-3-9-23-14-6-4-5-12(10-14)17(22)21-18-20-15-8-7-13(19)11-16(15)24-18/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,9,7,19,18,4,11,21,10,20,6,17,22,12,15,24,16,14,13,5,23/rA:24nCCCCOCCCCCCCONCNCCCCCCSCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0464
Area:589.443
Solvation:-3.68965
Coulombic:-35.9125
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.859
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):5.61

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