3-phenyl-5-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-phenyl-5-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-phenyl-5-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8015-1301 |
| Compound Name: | 3-phenyl-5-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C20 H17 N3 O S2 |
| Smiles: | CC(C)c1ccc(cc1)C1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6523 |
| logD: | 4.6483 |
| logSw: | -4.417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.686 |
| InChI Key: | BAYPOEDANXZWFE-UHFFFAOYSA-N |