Chemical ID: 6875334

Cc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)C)C
Chemical ID:
6875334
Name [?]:
4,8-dimethyl-7-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccc(cc1)c2c(sc3c2c(=O)n(cn3)C)C
InChi [?]:
InChI=1/C15H14N2OS/c1-9-4-6-11(7-5-9)12-10(2)19-14-13(12)15(18)17(3)8-16-14/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,3,7,4,6,16,2,9,5,8,12,11,13,17,15,14,10/E:(4,5)(6,7)/rA:19nCCCCCCCCCSCCCONCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2OS
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.99535
Area:435.678
Solvation:-1.89661
Coulombic:-23.0923
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.351
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.34
LogP (Chemaxon):3.11

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Descriptor Annotations

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