3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6839 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | COc1ccc(CN2C(=Nc3ccc(cc3C2=O)N2CCOCC2)SCc2cccc(c2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4685 |
| logD: | 4.4685 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.057 |
| InChI Key: | LLFXVEVBPZOMDK-UHFFFAOYSA-N |