ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K288-0860 |
| Compound Name: | ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.816 |
| logD: | 2.8158 |
| logSw: | -3.3826 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.862 |
| InChI Key: | SMGYDZAODPEDIG-UHFFFAOYSA-N |