N-[(4-methoxyphenyl)methyl]-6-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(4-methoxyphenyl)methyl]-6-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5733 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 590.66 |
| Molecular Formula: | C30 H30 N4 O7 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8651 |
| logD: | 4.8651 |
| logSw: | -4.4657 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.262 |
| InChI Key: | LJVXGVKHRVZOTF-UHFFFAOYSA-N |