methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0231 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | COC(c1ccc2C(N(CCC3CCCCC=3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2764 |
| logD: | 5.2764 |
| logSw: | -5.2067 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.497 |
| InChI Key: | MPSPBOAPPCDYNV-UHFFFAOYSA-N |