N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V021-3653 |
| Compound Name: | N-cyclopropyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)thiophene-2-carboxamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C25 H26 F N5 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccc(cc2)F)nn1)C(CN(C1CC1)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7942 |
| logD: | 3.7923 |
| logSw: | -3.9745 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.691 |
| InChI Key: | KNMLVSKCEQAOQX-UHFFFAOYSA-N |