3-(4-chlorophenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chlorophenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0204 |
| Compound Name: | 3-(4-chlorophenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 453 |
| Molecular Formula: | C18 H17 Cl N4 O2 S3 |
| Smiles: | C1CCN(CC1)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1435 |
| logD: | 3.1419 |
| logSw: | -3.6438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.688 |
| InChI Key: | MDDPJXBWWYEEEV-UHFFFAOYSA-N |