N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061391 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2C(N(CCc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1703 |
| logD: | 2.6299 |
| logSw: | -3.4996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.616 |
| InChI Key: | BKPWIKQNMCCEGB-LJQANCHMSA-N |