N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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: | K284-5786 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)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: | 626.73 |
| Molecular Formula: | C31 H38 N4 O8 S |
| Smiles: | CCC(C(NCCCOC)=O)SC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0061 |
| logD: | 4.0061 |
| logSw: | -4.1214 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.592 |
| InChI Key: | NKJCZDAXDKVDKD-MHZLTWQESA-N |