methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1669 |
| Compound Name: | methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(morpholin-4-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 546.44 |
| Molecular Formula: | C24 H24 Br N3 O5 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCOCC3)C(=Nc2c1)SCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3878 |
| logD: | 3.3243 |
| logSw: | -3.8217 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.061 |
| InChI Key: | AOYVAAOGUJUEDZ-UHFFFAOYSA-N |