5-benzyl-N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-N-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-N-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-N-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-4922 |
| Compound Name: | 5-benzyl-N-(3-{[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-N-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C25 H36 N6 O4 |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CCN(CCOC)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0389 |
| logD: | -1.5845 |
| logSw: | -1.9224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.342 |
| InChI Key: | KLBCZAIIXQBCEY-UHFFFAOYSA-N |