N-[(4-methoxyphenyl)methyl]-4-[6-{[(3-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[6-{[(3-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(4-methoxyphenyl)methyl]-4-[6-{[(3-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5598 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[6-{[(3-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C28 H26 N4 O7 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0691 |
| logD: | 4.0691 |
| logSw: | -4.1675 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.262 |
| InChI Key: | NVPONHUJBFPEFS-UHFFFAOYSA-N |