N-{1-[(butan-2-yl)amino]-1-oxopropan-2-yl}-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-{1-[(butan-2-yl)amino]-1-oxopropan-2-yl}-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-{1-[(butan-2-yl)amino]-1-oxopropan-2-yl}-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V023-5510 |
| Compound Name: | N-{1-[(butan-2-yl)amino]-1-oxopropan-2-yl}-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)NC(C(C)NC(c1cc2C(N(CCCn2n1)Cc1cccc(C)c1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3007 |
| logD: | 2.3007 |
| logSw: | -2.6838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.356 |
| InChI Key: | AUWSDLCHYPPHKB-UHFFFAOYSA-N |