Chemical ID: 6024795

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CCl
Chemical ID:
6024795
Name [?]:
2-[(2-chloroacetyl)-propyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CCl
InChi [?]:
InChI=1/C20H24ClFN2O2S/c1-3-9-23(19(25)11-21)14-20(26)24(13-18-15(2)8-10-27-18)12-16-4-6-17(22)7-5-16/h4-8,10H,3,9,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,11,15,12,14,20,3,21,26,9,17,5,19,10,13,18,24,6,27,16,4,8,25,7,22/E:(4,5)(6,7)/rA:27nCCCNCCONCCCCCCCFCCCCCSCCOCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClFN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5292
Area:614.051
Solvation:-4.82204
Coulombic:-37.8637
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.934
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):3.61

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Descriptor Annotations

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