N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-4880 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-N-methyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Salt: | not_available |
| Smiles: | CN(CC(NCc1ccc2c(c1)OCO2)=O)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6406 |
| logD: | 1.6406 |
| logSw: | -2.3078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.119 |
| InChI Key: | DRVOHTHUCMDYJI-UHFFFAOYSA-N |