6-[6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-[6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
6-[6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5722 |
| Compound Name: | 6-[6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 608.11 |
| Molecular Formula: | C31 H30 Cl N3 O6 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3369 |
| logD: | 5.3369 |
| logSw: | -5.7661 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.127 |
| InChI Key: | KZWSWBUPQCCGKF-UHFFFAOYSA-N |