N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5684 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 606.65 |
| Molecular Formula: | C30 H30 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1644 |
| logD: | 3.1644 |
| logSw: | -3.6528 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.82 |
| InChI Key: | SGESFNQABQOHAB-UHFFFAOYSA-N |