N-[(4-methylphenyl)methyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(4-methylphenyl)methyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1794 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N(CC4CCCO4)C(Nc3c2)=S)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9421 |
| logD: | 2.9394 |
| logSw: | -3.4345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.386 |
| InChI Key: | VBLWFMUMTDKCPC-QGZVFWFLSA-N |