Chemical ID: 6031882

CC(C)CCNC(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3ccccc3F
Chemical ID:
6031882
Name [?]:
2-[[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-isopentyl-thiazole-4-carboxamide
SMILES [?]:
CC(C)CCNC(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3ccccc3F
InChi [?]:
InChI=1/C24H27F2N3OS/c1-17(2)11-12-27-24(30)22-16-31-23(28-22)15-29(13-18-7-9-20(25)10-8-18)14-19-5-3-4-6-21(19)26/h3-10,16-17H,11-15H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,27,28,26,29,18,22,19,21,4,5,16,24,14,10,2,17,25,20,30,9,12,7,23,31,6,13,15,8,11/E:(1,2)(7,8)(9,10)/rA:31cCCCCCNCOCCSCNCNCCCCCCCFCCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27F2N3OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.5087
Area:684.925
Solvation:-4.61445
Coulombic:-43.7889
Bond Count [?]
All:33
Single:24
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.554
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):5.21

Name Annotations

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Descriptor Annotations

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