4-[4-ethyl-3-(thiomorpholine-4-sulfonyl)phenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-ethyl-3-(thiomorpholine-4-sulfonyl)phenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[4-ethyl-3-(thiomorpholine-4-sulfonyl)phenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0534 |
| Compound Name: | 4-[4-ethyl-3-(thiomorpholine-4-sulfonyl)phenyl]-2-methyl-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | CCc1ccc(cc1S(N1CCSCC1)(=O)=O)C1C2CCCCC=2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8625 |
| logD: | 3.8625 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.049 |
| InChI Key: | RXZXKYPOMGZLAS-UHFFFAOYSA-N |