ethyl 4-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate
ethyl 4-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0060965 |
| Compound Name: | ethyl 4-[3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C22 H21 F N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.404 |
| logD: | 2.3836 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.834 |
| InChI Key: | QHQPYTAPXKZIMA-UHFFFAOYSA-N |