6-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018605 |
| Compound Name: | 6-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 538.11 |
| Molecular Formula: | C26 H20 Cl N3 O2 S3 |
| Smiles: | COc1ccccc1N1C2=C(C(N(Cc3ccccc3)C(=N2)SCc2ccc(cc2)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1619 |
| logD: | 6.1619 |
| logSw: | -6.0481 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.896 |
| InChI Key: | GPWYVUVNYXOCHT-UHFFFAOYSA-N |