N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5720 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 573.67 |
| Molecular Formula: | C31 H31 N3 O6 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6371 |
| logD: | 4.6371 |
| logSw: | -4.3135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.127 |
| InChI Key: | VVNPMUGBKGMRFH-UHFFFAOYSA-N |