N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V004-3253 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 583.68 |
| Molecular Formula: | C29 H34 F N5 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)S(N(CC1CCCO1)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2975 |
| logD: | 3.2956 |
| logSw: | -3.6148 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.459 |
| InChI Key: | JNQLNQJDXSQYSN-RUZDIDTESA-N |