3-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061259 |
| Compound Name: | 3-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0712 |
| logD: | 2.5308 |
| logSw: | -3.4739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.638 |
| InChI Key: | FRDJGZHISRXNNQ-GOSISDBHSA-N |