3,7,7-trimethyl-9-[4-(propan-2-yl)phenyl]-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione
Chemical Structure Depiction of
3,7,7-trimethyl-9-[4-(propan-2-yl)phenyl]-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione
3,7,7-trimethyl-9-[4-(propan-2-yl)phenyl]-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione
Compound characteristics
| Compound ID: | Y020-0975 |
| Compound Name: | 3,7,7-trimethyl-9-[4-(propan-2-yl)phenyl]-10-sulfanylidene-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C24 H22 N2 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2=C(C(C)(C)N3C(C(c4c(C)ccc2c34)=O)=O)S1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.602 |
| logD: | 5.5994 |
| logSw: | -5.6109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 32.773 |
| InChI Key: | RDUFCLDYCCJIBH-UHFFFAOYSA-N |