N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{8-oxo-6-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]-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-{8-oxo-6-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{8-oxo-6-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5791 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{8-oxo-6-[(1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 645.74 |
| Molecular Formula: | C33 H35 N5 O7 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)SC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8461 |
| logD: | 3.8436 |
| logSw: | -3.6595 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.655 |
| InChI Key: | JJINHFIAWYSNBB-LJAQVGFWSA-N |