Chemical ID: 4943908

c1ccc2cc(ccc2c1)C3=Nc4ccccc4SC(C3)c5ccccc5F
Chemical ID:
4943908
Name [?]:
5-(2-fluorophenyl)-3-(2-naphthyl)-6-thia-2-azabicyclo[5.4.0]undeca-2,8,10,12-tetraene
SMILES [?]:
c1ccc2cc(ccc2c1)C3=Nc4ccccc4SC(C3)c5ccccc5F
InChi [?]:
InChI=1/C25H18FNS/c26-21-10-4-3-9-20(21)25-16-23(27-22-11-5-6-12-24(22)28-25)19-14-13-17-7-1-2-8-18(17)15-19/h1-15,25H,16H2
InChi Info:
AuxInfo=1/0/N:1,2,24,25,15,16,10,3,23,26,14,17,8,7,5,21,9,4,6,22,27,13,11,18,20,28,12,19/rA:28cCCCCCCCCCCCNCCCCCCSCCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11s20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18FNS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.5731
Area:571.984
Solvation:-2.72646
Coulombic:-14.4292
Bond Count [?]
All:32
Single:20
Double:12
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:383.482
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.62
LogP (Chemaxon):7.2

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Descriptor Annotations

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