N-(3-chloro-2-fluorophenyl)-4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-fluorophenyl)-4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
N-(3-chloro-2-fluorophenyl)-4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SC19-0407 |
| Compound Name: | N-(3-chloro-2-fluorophenyl)-4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C21 H27 Cl F N5 O2 |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)C(Nc2cccc(c2F)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.409 |
| logD: | -3.1064 |
| logSw: | -3.1953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.16 |
| InChI Key: | NDPVKUBNWURURC-UHFFFAOYSA-N |