Chemical ID: 6031998

CCC(C)NC(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3cccc(c3)Cl
Chemical ID:
6031998
Name [?]:
2-[[(3-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-sec-butyl-thiazole-4-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H25ClFN3OS/c1-3-16(2)26-23(29)21-15-30-22(27-21)14-28(12-17-7-9-20(25)10-8-17)13-18-5-4-6-19(24)11-18/h4-11,15-16H,3,12-14H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,26,25,27,17,21,18,20,29,15,23,13,9,3,16,24,28,19,8,11,6,30,22,5,12,14,7,10/E:(7,8)(9,10)/rA:30cCCCCNCOCCSCNCNCCCCCCCFCCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25ClFN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:13.8253
Area:691.959
Solvation:-3.47369
Coulombic:-40.5127
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.981
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):5.28

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