3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-7043 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholin-4-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C29 H30 N4 O6 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccc(cc3C2=O)N2CCOCC2)SCc2ccc(cc2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8883 |
| logD: | 3.8882 |
| logSw: | -3.9282 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.753 |
| InChI Key: | BEBASLLZMJYTIQ-UHFFFAOYSA-N |