2-methyl-N-(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1594 |
| Compound Name: | 2-methyl-N-(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 0.5186 |
| logD: | 0.2093 |
| logSw: | -2.1478 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.458 |
| InChI Key: | JKZUBUSQABYGEA-UHFFFAOYSA-N |