Chemical ID: 6009173

CC(C)CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6009173
Name [?]:
3,4-dichloro-N-isopentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H19Cl2N3O2S/c1-11(2)5-7-22(10-15(23)21-17-20-6-8-25-17)16(24)12-3-4-13(18)14(19)9-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,4,13,5,14,23,7,2,18,21,22,8,16,11,25,24,12,10,6,9,17,15/E:(1,2)/rA:25nCCCCCNCCONCNCCSCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19Cl2N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1328
Area:613.015
Solvation:-4.19259
Coulombic:-43.4269
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.323
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):4.11

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