Chemical ID: 7211637

Cc1c(c(nn1CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CC(CC4)C(C)(C)C)C)C(F)(F)F)Cl
Chemical ID:
7211637
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1CC(=O)Nn2c(nc3c(c2=O)c4c(s3)CC(CC4)C(C)(C)C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H25ClF3N5O2S/c1-10-17(23)18(22(24,25)26)29-30(10)9-15(32)28-31-11(2)27-19-16(20(31)33)13-7-6-12(21(3,4)5)8-14(13)34-19/h12H,6-9H2,1-5H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,29,26,27,28,23,24,21,7,2,12,22,18,19,8,15,3,4,14,16,25,30,34,31,32,33,13,10,5,6,11,9,17,20/E:(3,4,5)(24,25,26)/rA:34cCCCCNNCCONNCNCCCOCCSCCCCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s19;s21;s22;s18s23;s22;s25;s25;s25;s12;s4;s30;s30;s30;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25ClF3N5O2S
All Atoms:59
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.5372
Area:688.682
Solvation:-4.67989
Coulombic:-60.5013
Bond Count [?]
All:37
Single:30
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:515.98
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.72
LogP (Chemaxon):3.6

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