Chemical ID: 5940865

CC(C)CNC(=O)c1csc(n1)CN(CC(C)C)C(=O)C(C)(C)CCl
Chemical ID:
5940865
Name [?]:
2-[[(3-chloro-2,2-dimethyl-propanoyl)-isobutyl-amino]methyl]-N-isobutyl-thiazole-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1csc(n1)CN(CC(C)C)C(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C18H30ClN3O2S/c1-12(2)7-20-16(23)14-10-25-15(21-14)9-22(8-13(3)4)17(24)18(5,6)11-19/h10,12-13H,7-9,11H2,1-6H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,22,23,4,15,13,9,24,2,16,8,11,6,19,21,25,5,12,14,7,20,10/E:(1,2)(3,4)(5,6)/rA:25nCCCCNCOCCSCNCNCCCCCOCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s16;s14;d19;s19;s21;s21;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.8666
Area:614.854
Solvation:-2.50474
Coulombic:-46.8359
Bond Count [?]
All:25
Single:21
Double:4
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:387.969
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):3.57

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