2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5507 |
| Compound Name: | 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 603.65 |
| Molecular Formula: | C30 H29 N5 O7 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)SC1=Nc2cc3c(cc2C(N1CCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0892 |
| logD: | 3.0868 |
| logSw: | -3.254 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.655 |
| InChI Key: | NHSMKIFEQUIMMZ-SANMLTNESA-N |