4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one
4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | F136-0039 |
| Compound Name: | 4-[3-(azepane-1-sulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1(2H)-one |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)C1C2CCCCC2C(NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2867 |
| logD: | 4.2825 |
| logSw: | -4.164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.592 |
| InChI Key: | DDJDEKJVWZWHHB-UHFFFAOYSA-N |