6-[6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}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-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
6-[6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5760 |
| Compound Name: | 6-[6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 660.75 |
| Molecular Formula: | C34 H36 N4 O8 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4589 |
| logD: | 5.4588 |
| logSw: | -5.2248 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.358 |
| InChI Key: | HPWUVXACXRDSMF-PMERELPUSA-N |