2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5716 |
| Compound Name: | 2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 606.65 |
| Molecular Formula: | C30 H30 N4 O8 S |
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8143 |
| logD: | 3.8143 |
| logSw: | -3.8377 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.885 |
| InChI Key: | OUIFMXQRKSPMPA-SANMLTNESA-N |