N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-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-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V004-3230 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C27 H30 F N5 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)S(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7648 |
| logD: | 3.7629 |
| logSw: | -3.9083 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.055 |
| InChI Key: | AWONLRUJWDAFJC-UHFFFAOYSA-N |