N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-chlorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-chlorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-chlorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-1127 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-chlorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C23 H21 Cl N4 O4 |
| Smiles: | C1CN(Cc2ccc(cc2)[Cl])C(c2cc(C(NCc3ccc4c(c3)OCO4)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0006 |
| logD: | 3.0006 |
| logSw: | -3.6178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.91 |
| InChI Key: | LYGLTMXFUNCKSB-UHFFFAOYSA-N |