Chemical ID: 5787264

Cc1cc(=O)sc2c1c(nn2c3ccccc3)C
Chemical ID:
5787264
Name [?]:
5,7-dimethyl-9-phenyl-2-thia-8,9-diazabicyclo[4.3.0]nona-4,7,10-trien-3-one
SMILES [?]:
Cc1cc(=O)sc2c1c(nn2c3ccccc3)C
InChi [?]:
InChI=1/C14H12N2OS/c1-9-8-12(17)18-14-13(9)10(2)15-16(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,17,3,2,9,12,4,8,7,10,11,5,6/E:(4,5)(6,7)/rA:18nCCCCOSCCCNNCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.1674
Area:419.264
Solvation:-2.3142
Coulombic:-14.9814
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.65
LogP (Chemaxon):3.36

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