N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Compound characteristics
Compound ID: | E539-0419 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide |
Molecular Weight: | 398.48 |
Molecular Formula: | C21 H22 N2 O4 S |
Smiles: | CC1CN(C(CCC(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2S1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.988 |
logD: | 2.988 |
logSw: | -3.4465 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.544 |
InChI Key: | KCHPTOIMWFEHMS-AWEZNQCLSA-N |