N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0972 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C27 H23 N3 O3 |
| Smiles: | C1c2ccccc2n2cccc2C(c2ccccc2)N1C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7373 |
| logD: | 4.7373 |
| logSw: | -4.7575 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.394 |
| InChI Key: | VNWHSVRNLNBAQZ-AREMUKBSSA-N |