N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-(thiomorpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-(thiomorpholine-4-sulfonyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-(thiomorpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | L586-1359 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-(thiomorpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C19 H19 Cl N2 O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(ccc1[Cl])S(N1CCSCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3674 |
| logD: | 3.3674 |
| logSw: | -3.8933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.478 |
| InChI Key: | NLTOIKRLEXNZAO-UHFFFAOYSA-N |