N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-5-[(3RS)-1,2-dithiolan-3-yl]pentanamide
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)-5-[(3RS)-1,2-dithiolan-3-yl]pentanamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-5-[(3RS)-1,2-dithiolan-3-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-4129 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-5-[(3RS)-1,2-dithiolan-3-yl]pentanamide |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(Nc1ccc2c(c1)C(N1CCCC1C(N2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6063 |
| logD: | 2.5266 |
| logSw: | -3.2815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.484 |
| InChI Key: | FJYNDFKPTXAGDQ-MBIQTGHCSA-N |