4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0265 |
| Compound Name: | 4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-ethyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CCN1C(C2CCCCC=2C(c2ccc(C)c(c2)S(N2CCCCCC2)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7674 |
| logD: | 4.7674 |
| logSw: | -4.3888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.426 |
| InChI Key: | KTVNPZYNZQEIFN-UHFFFAOYSA-N |