methyl 3-[2-(morpholin-4-yl)ethyl]-4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(morpholin-4-yl)ethyl]-4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(morpholin-4-yl)ethyl]-4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-4435 |
| Compound Name: | methyl 3-[2-(morpholin-4-yl)ethyl]-4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C28 H33 N5 O5 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCOCC3)C(=Nc2c1)SCC(N1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3249 |
| logD: | 2.2613 |
| logSw: | -2.9603 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.467 |
| InChI Key: | WFIOUQFYVWQGBL-UHFFFAOYSA-N |