ethyl 4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0016423 |
| Compound Name: | ethyl 4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C28 H33 Cl N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCN(CC1)C(=O)OCC)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4188 |
| logD: | 5.4188 |
| logSw: | -5.6942 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.449 |
| InChI Key: | YOAKYWORGIPBBT-UHFFFAOYSA-N |