N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}thiophene-2-carboxamide
N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-5313 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}thiophene-2-carboxamide |
| Molecular Weight: | 529.64 |
| Molecular Formula: | C29 H28 F N5 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccccc2)nn1)C(CN(Cc1ccc(cc1)F)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3851 |
| logD: | 4.379 |
| logSw: | -4.1974 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.115 |
| InChI Key: | FXHCNVOILAGFHI-UHFFFAOYSA-N |