3-[2-(diethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-(diethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-(diethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0512 |
| Compound Name: | 3-[2-(diethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C22 H25 F N4 O2 S |
| Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2186 |
| logD: | 1.7711 |
| logSw: | -3.4468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.392 |
| InChI Key: | HMWCEZJMSRCGRT-UHFFFAOYSA-N |