Chemical ID: 6001071

CCC(C)N(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)Cl
Chemical ID:
6001071
Name [?]:
3-chloro-N-sec-butyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCC(C)N(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C16H18ClN3O2S/c1-3-11(2)20(10-14(21)19-16-18-7-8-23-16)15(22)12-5-4-6-13(17)9-12/h4-9,11H,3,10H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,12,13,22,6,3,17,21,7,15,10,23,11,9,5,8,16,14/rA:23cCCCCNCCONCNCCSCOCCCCCCCl/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.84505
Area:543.529
Solvation:-3.74318
Coulombic:-43.6234
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.852
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):3.27

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