N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C699-0064 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-benzyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2c(c1)N(CCS2)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3063 |
| logD: | 4.3063 |
| logSw: | -4.3309 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.33 |
| InChI Key: | RHJOWYPBXPRSRC-UHFFFAOYSA-N |