N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061675 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 500.01 |
| Molecular Formula: | C24 H19 Cl F N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5379 |
| logD: | 4.4314 |
| logSw: | -4.6817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.961 |
| InChI Key: | PYUGLKJSXMLVSJ-UHFFFAOYSA-N |