6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y600-0179 |
| Compound Name: | 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 291.35 |
| Molecular Formula: | C12 H9 N3 O2 S2 |
| Smiles: | C(C1=CC(NC(N1)=S)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 2.3757 |
| logD: | 1.8212 |
| logSw: | -2.7022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.902 |
| InChI Key: | ZBZUSIRGXUAECB-UHFFFAOYSA-N |