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 |