N-[(4-methoxyphenyl)methyl]-6-[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}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-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(4-methoxyphenyl)methyl]-6-[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5744 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 612.75 |
| Molecular Formula: | C31 H40 N4 O7 S |
| Smiles: | CCC(C(NCCCOC)=O)SC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0754 |
| logD: | 4.0754 |
| logSw: | -4.1669 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.021 |
| InChI Key: | ASHGKYKZLJCHRF-MHZLTWQESA-N |