6-methyl-3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-methyl-3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-methyl-3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F143-0094 |
| Compound Name: | 6-methyl-3-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 425.59 |
| Molecular Formula: | C21 H19 N3 O S3 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCc2cccc(C)c2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2025 |
| logD: | 5.2025 |
| logSw: | -4.9762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.6032 |
| InChI Key: | OQEKMOSDJNFMPP-UHFFFAOYSA-N |