N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(1-methyl-1H-indol-3-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-(1-methyl-1H-indol-3-yl)butanamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(1-methyl-1H-indol-3-yl)butanamide
Compound characteristics
| Compound ID: | Y043-4133 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(1-methyl-1H-indol-3-yl)butanamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | Cn1cc(CCCC(Nc2ccc3c(c2)C(N2CCCC2C(N3)=O)=O)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6509 |
| logD: | 2.5712 |
| logSw: | -3.0688 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.485 |
| InChI Key: | HOVMURBJIXDEEC-QFIPXVFZSA-N |