N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-5321 |
| Compound Name: | N-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 551.71 |
| Molecular Formula: | C29 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8691 |
| logD: | 4.8653 |
| logSw: | -4.4343 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.055 |
| InChI Key: | MIUCVULHUHESDT-UHFFFAOYSA-N |