N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-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-oxo-1,2,3-benzotriazin-3(4H)-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-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y044-3823 |
| 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-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | C1CC2C(Nc3ccc(cc3C(N2C1)=O)NC(CCCN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1645 |
| logD: | 1.0849 |
| logSw: | -2.3666 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.87 |
| InChI Key: | IJTHYXWALQIEOJ-IBGZPJMESA-N |