6-[6-({2-[(2-methoxyethyl)amino]-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-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
6-[6-({2-[(2-methoxyethyl)amino]-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: | K284-5742 |
| Compound Name: | 6-[6-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 570.66 |
| Molecular Formula: | C28 H34 N4 O7 S |
| Smiles: | COCCNC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc(cc1)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6303 |
| logD: | 2.6303 |
| logSw: | -3.2326 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.807 |
| InChI Key: | PTXIIIYNIYLHOH-UHFFFAOYSA-N |