4-acetyl-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-acetyl-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
Compound ID: | F053-0737 |
Compound Name: | 4-acetyl-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
Molecular Weight: | 406.52 |
Molecular Formula: | C19 H22 N2 O4 S2 |
Smiles: | CCOc1ccc(CNS(c2ccc3c(c2)N(CCS3)C(C)=O)(=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.9621 |
logD: | 2.962 |
logSw: | -3.5572 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.173 |
InChI Key: | RARYECFOHGTDPW-UHFFFAOYSA-N |