5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-4911 |
| Compound Name: | 5-benzyl-N-(2-methoxyethyl)-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C27 H32 N6 O4 |
| Salt: | not_available |
| Smiles: | COCCN(CCC(NCc1cccnc1)=O)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5564 |
| logD: | 0.5539 |
| logSw: | -1.4642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.881 |
| InChI Key: | UCBHROWBPTVQMO-UHFFFAOYSA-N |