N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide
Compound characteristics
| Compound ID: | K284-5505 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide |
| Molecular Weight: | 568.61 |
| Molecular Formula: | C27 H28 N4 O8 S |
| Smiles: | C1CC(CNC(CSC2=Nc3cc4c(cc3C(N2CCC(NCc2ccc3c(c2)OCO3)=O)=O)OCO4)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9256 |
| logD: | 1.9256 |
| logSw: | -2.7947 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.578 |
| InChI Key: | SEJMQMGCGFXDBF-QGZVFWFLSA-N |