5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-1303 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-4-oxo-N-[3-(propylsulfanyl)propyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 434.99 |
| Molecular Formula: | C21 H27 Cl N4 O2 S |
| Smiles: | CCCSCCCNC(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9956 |
| logD: | 2.9956 |
| logSw: | -3.6434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.908 |
| InChI Key: | CHZXIAKJHYMPDB-UHFFFAOYSA-N |