1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0551 |
| Compound Name: | 1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 579.72 |
| Molecular Formula: | C30 H37 N5 O5 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCC(CC1)C(N)=O)=O)SCC(Nc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3721 |
| logD: | 3.3721 |
| logSw: | -3.6823 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.001 |
| InChI Key: | JTACQUUCIMNTPQ-UHFFFAOYSA-N |