N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(propan-2-yl)benzene-1-sulfonamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V016-7097 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C27 H32 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4073 |
| logD: | 4.4055 |
| logSw: | -4.1488 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.315 |
| InChI Key: | SHHAHLHPKCLDSD-UHFFFAOYSA-N |