N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)butanamide
Chemical Structure Depiction of
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)butanamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)butanamide
Compound characteristics
| Compound ID: | Y044-3739 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)butanamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | CC1=CC(=CC(N1CCCC(Nc1ccc2c(c1)C(N1CCCC1C(N2)=O)=O)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.056 |
| logD: | -2.4699 |
| logSw: | -2.0962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.593 |
| InChI Key: | CQQHMIZTVIJBJU-SFHVURJKSA-N |