methyl 3-[2-(morpholin-4-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(morpholin-4-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(morpholin-4-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1657 |
| Compound Name: | methyl 3-[2-(morpholin-4-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C23 H24 N4 O6 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCOCC3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.891 |
| logD: | 2.8274 |
| logSw: | -3.4575 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.196 |
| InChI Key: | PEAOJNPDZSWTAW-UHFFFAOYSA-N |