Chemical ID: 6023409

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C(C)Cl
Chemical ID:
6023409
Name [?]:
2-chloro-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C(C)Cl
InChi [?]:
InChI=1/C20H24ClFN2O2S/c1-14(2)24(20(26)15(3)21)13-19(25)23(12-18-5-4-10-27-18)11-16-6-8-17(22)9-7-16/h4-10,14-15H,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,20,19,11,15,12,14,21,9,17,5,2,25,10,13,18,6,23,27,16,8,4,7,24,22/E:(1,2)(6,7)(8,9)/rA:27cCCCNCCONCCCCCCCFCCCCCSCOCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClFN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.7081
Area:596.69
Solvation:-4.20918
Coulombic:-39.1065
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.934
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):3.62

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Descriptor Annotations

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