N-butyl-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-butyl-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-butyl-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: | G542-2542 |
| Compound Name: | N-butyl-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CCCCNC(c1cc2C(N(CCCn2n1)Cc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9519 |
| logD: | 2.9519 |
| logSw: | -3.1063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.908 |
| InChI Key: | VOAGCUZLKKQARH-UHFFFAOYSA-N |