Chemical ID: 6519535

Cc1ccc(c(c1)C)C(=O)C=C2C(=O)Sc3ccccc3N2
Chemical ID:
6519535
Name [?]:
8-[2-(2,4-dimethylphenyl)-2-oxo-ethylidene]-10-thia-7-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)C=C2C(=O)Sc3ccccc3N2
InChi [?]:
InChI=1/C18H15NO2S/c1-11-7-8-13(12(2)9-11)16(20)10-15-18(21)22-17-6-4-3-5-14(17)19-15/h3-10,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,19,18,20,17,3,4,7,11,2,6,5,21,12,9,16,13,22,10,14,15/rA:22nCCCCCCCCCOCCCOSCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;w11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s12s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.94385
Area:490.222
Solvation:-3.31171
Coulombic:-30.364
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:309.383
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):4.28

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