3-[(3-bromophenyl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061906 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(Cc4cccc(c4)[Br])C(Nc3c2)=S)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3375 |
| logD: | 3.3366 |
| logSw: | -3.7168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.386 |
| InChI Key: | RXUXJWHMDLVEEM-MRXNPFEDSA-N |