N-ethyl-N-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-ethyl-N-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-ethyl-N-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-5945 |
| Compound Name: | N-ethyl-N-(3-{[(4-fluorophenyl)methyl]amino}-3-oxopropyl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H32 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCN(CCC(NCc1ccc(cc1)F)=O)C(c1cc2C(N(CCCn2n1)Cc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7432 |
| logD: | 2.7432 |
| logSw: | -2.9785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.767 |
| InChI Key: | IVAAQDDOQWXKLJ-UHFFFAOYSA-N |