3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6114 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-6,7-dimethoxy-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | COc1cc2C(N(CCC3CCCCC=3)C(=Nc2cc1OC)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 5.24 |
| logSw: | -5.0749 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.584 |
| InChI Key: | XKYSAJHVYHUPGX-UHFFFAOYSA-N |