5-benzyl-N-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-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: | V008-4838 |
Compound Name: | 5-benzyl-N-(2-methylpropyl)-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: | 502.62 |
Molecular Formula: | C28 H34 N6 O3 |
Salt: | not_available |
Smiles: | CC(C)CN(CCC(NCc1cccnc1)=O)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9415 |
logD: | 1.9391 |
logSw: | -2.169 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.56 |
InChI Key: | OKEDNJDVAJBGRJ-UHFFFAOYSA-N |