N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-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-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-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: | G542-2608 |
| Compound Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCCSCc4ccco4)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2041 |
| logD: | 3.2041 |
| logSw: | -3.2538 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.385 |
| InChI Key: | DVHPWEWWIXEYQV-UHFFFAOYSA-N |