Chemical ID: 7212168

Cc1c(c(nn1CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)C(F)(F)F)Cl
Chemical ID:
7212168
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C18H17ClF3N5O2S/c1-8-14(19)15(18(20,21)22)25-26(8)7-12(28)24-27-9(2)23-16-13(17(27)29)10-5-3-4-6-11(10)30-16/h3-7H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,25,23,22,24,21,7,2,12,18,19,8,15,3,4,14,16,26,30,27,28,29,13,10,5,6,11,9,17,20/E:(20,21,22)/rA:30nCCCCNNCCONNCNCCCOCCSCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s19;s21;s22;s18s23;s12;s4;s26;s26;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClF3N5O2S
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.575
Area:610.071
Solvation:-4.67673
Coulombic:-59.4239
Bond Count [?]
All:33
Single:26
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:459.874
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.11

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Descriptor Annotations

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