Chemical ID: 6023344

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)CCl
Chemical ID:
6023344
Name [?]:
2-[(2-chloroacetyl)-isopropyl-amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)CCl
InChi [?]:
InChI=1/C19H22ClFN2O2S/c1-14(2)23(18(24)10-20)13-19(25)22(12-17-4-3-9-26-17)11-15-5-7-16(21)8-6-15/h3-9,14H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,11,15,12,14,21,25,9,17,5,2,10,13,18,23,6,26,16,8,4,24,7,22/E:(1,2)(5,6)(7,8)/rA:26nCCCNCCONCCCCCCCFCCCCCSCOCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClFN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.89781
Area:584.626
Solvation:-4.71783
Coulombic:-37.8657
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.907
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):3.09

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