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 |