2-ethyl-4-[4-methyl-3-(thiomorpholine-4-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-4-[4-methyl-3-(thiomorpholine-4-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
2-ethyl-4-[4-methyl-3-(thiomorpholine-4-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0221 |
| Compound Name: | 2-ethyl-4-[4-methyl-3-(thiomorpholine-4-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | CCN1C(C2CCCCC=2C(c2ccc(C)c(c2)S(N2CCSCC2)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.867 |
| logD: | 3.867 |
| logSw: | -3.8346 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.095 |
| InChI Key: | VBIDATROOJJMEU-UHFFFAOYSA-N |