Chemical ID: 6766630

c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccccc4F
Chemical ID:
6766630
Name [?]:
N-(2-fluorophenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C20H14FN3O2S/c21-15-8-4-5-9-16(15)23-17(25)10-24-12-22-19-18(20(24)26)14(11-27-19)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,23,3,5,25,22,17,8,15,4,7,26,21,18,11,10,12,27,16,20,14,19,13,9/E:(2,3)(6,7)/rA:27nCCCCCCCCSCCCONCNCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14FN3O2S
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.79122
Area:556.446
Solvation:-4.11993
Coulombic:-48.0746
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.409
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.95
LogP (Chemaxon):3.22

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Descriptor Annotations

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