1-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
1-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0497 |
| Compound Name: | 1-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C28 H31 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1CC=C)=O)C(N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.947 |
| logD: | 1.947 |
| logSw: | -2.8918 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.001 |
| InChI Key: | BWTDEZHSPWXPFX-UHFFFAOYSA-N |