N-[(4-methoxyphenyl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
N-[(4-methoxyphenyl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-5612 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide |
| Molecular Weight: | 568.65 |
| Molecular Formula: | C28 H32 N4 O7 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCC2CCCO2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7416 |
| logD: | 1.7416 |
| logSw: | -2.6673 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.006 |
| InChI Key: | WKZMLHDVEAKWGX-HXUWFJFHSA-N |