Chemical ID: 6458459

Cc1ccc(cc1)CNC(=O)c2c(c3c(c4c(nc3s2)CCC4)C(F)(F)F)N
Chemical ID:
6458459
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2c(c3c(c4c(nc3s2)CCC4)C(F)(F)F)N
InChi [?]:
InChI=1/C20H18F3N3OS/c1-10-5-7-11(8-6-10)9-25-18(27)17-16(24)14-15(20(21,22)23)12-3-2-4-13(12)26-19(14)28-17/h5-8H,2-4,9,24H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,3,7,4,6,8,2,5,16,17,14,15,13,12,10,19,24,25,26,27,28,9,18,11,20/E:(5,6)(7,8)(21,22,23)/rA:28nCCCCCCCCNCOCCCCCCNCSCCCCFFFN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s21;s16s22;s15;s24;s24;s24;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18F3N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5613
Area:570.363
Solvation:-2.69775
Coulombic:-62.7917
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.438
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):4.61

Name Annotations

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Descriptor Annotations

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