N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-5357 |
| Compound Name: | N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 535.67 |
| Molecular Formula: | C28 H33 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1591 |
| logD: | 4.1553 |
| logSw: | -4.0407 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.055 |
| InChI Key: | YHHAKBJEXRDPRE-UHFFFAOYSA-N |