ethyl 4-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0061145 |
| Compound Name: | ethyl 4-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 540.95 |
| Molecular Formula: | C23 H20 Cl F3 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7328 |
| logD: | 3.7288 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.834 |
| InChI Key: | JNQSZBYTGYSILJ-UHFFFAOYSA-N |