5-[4-(methanesulfonyl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-[4-(methanesulfonyl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione
5-[4-(methanesulfonyl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y042-3982 |
| Compound Name: | 5-[4-(methanesulfonyl)piperazine-1-carbonyl]-2-[(4-methoxyphenyl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3C2=O)C(N2CCN(CC2)S(C)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3831 |
| logD: | 1.3831 |
| logSw: | -2.4929 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.966 |
| InChI Key: | IKPNNKFANJSTKT-UHFFFAOYSA-N |