N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-6459 |
| Compound Name: | N-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H23 N5 O4 |
| Smiles: | C(CC(Nc1ccc2c(c1)C(N1CCC[C@H]1C(N2)=O)=O)=O)CN1C=Nc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3499 |
| logD: | 0.2703 |
| logSw: | -2.3545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.276 |
| InChI Key: | SIXXQZJTKODWHB-FQEVSTJZSA-N |