Chemical ID: 7308151

c1ccc(c(c1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)F)F
Chemical ID:
7308151
Name [?]:
N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)F)F
InChi [?]:
InChI=1/C20H13F2N3O2S/c21-13-7-5-12(6-8-13)14-10-28-19-18(14)20(27)25(11-23-19)9-17(26)24-16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,22,26,23,25,10,19,12,21,24,18,4,5,8,15,14,16,27,28,13,7,11,9,17,20/E:(5,6)(7,8)/rA:28nCCCCCCNCOCNCNCCCOCCSCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s18;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13F2N3O2S
All Atoms:41
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.18052
Area:563.241
Solvation:-4.9005
Coulombic:-51.1413
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:397.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):3.36

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Descriptor Annotations

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