1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0555 |
| Compound Name: | 1-(2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C31 H31 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1c1ccccc1)=O)C(N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3503 |
| logD: | 2.3503 |
| logSw: | -3.2491 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.14 |
| InChI Key: | GKBZVHKQCYUSMH-UHFFFAOYSA-N |