Chemical ID: 7166032

Cc1ccc(cc1)C(=O)Nc2c3c(cc(nc3sc2C(=O)N)C(F)F)C4CC4
Chemical ID:
7166032
Name [?]:
2-cyclopropyl-4-(difluoromethyl)-9-(4-methylbenzoyl)amino-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2c3c(cc(nc3sc2C(=O)N)C(F)F)C4CC4
InChi [?]:
InChI=1/C20H17F2N3O2S/c1-9-2-4-11(5-3-9)19(27)25-15-14-12(10-6-7-10)8-13(17(21)22)24-20(14)28-16(15)18(23)26/h2-5,8,10,17H,6-7H2,1H3,(H2,23,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,27,28,14,2,26,5,13,15,12,11,19,23,20,8,17,24,25,22,16,10,21,9,18/E:(2,3)(4,5)(6,7)(21,22)/rA:28nCCCCCCCCONCCCCCNCSCCONCFFCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d11s18;s19;d20;s20;s15;s23;s23;s13;s26;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17F2N3O2S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.1719
Area:565.592
Solvation:-4.9679
Coulombic:-62.792
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.431
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.03
LogP (Chemaxon):3.93

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Descriptor Annotations

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