4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0086 |
| Compound Name: | 4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3602 |
| logD: | 4.3602 |
| logSw: | -4.1884 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.38 |
| InChI Key: | JTJRXBXDVFZXQN-UHFFFAOYSA-N |