N-(butan-2-yl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
N-(butan-2-yl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V023-4813 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 539.67 |
| Molecular Formula: | C28 H34 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8763 |
| logD: | 4.8745 |
| logSw: | -4.4828 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.899 |
| InChI Key: | VQIFOXRTGMGCSX-QFIPXVFZSA-N |