3-benzyl-5-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-5-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8013-0081 |
| Compound Name: | 3-benzyl-5-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 289.38 |
| Molecular Formula: | C13 H11 N3 O S2 |
| Smiles: | CC1NC(C2=C(N=1)N(Cc1ccccc1)C(=S)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3673 |
| logD: | 2.3673 |
| logSw: | -2.786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.241 |
| InChI Key: | SFDIGECLOMBWCI-UHFFFAOYSA-N |