N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | K834-3514 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 586.68 |
| Molecular Formula: | C28 H30 N2 O8 S2 |
| Smiles: | COc1cccc(CSc2ccc(cc2C(NCc2ccc3c(c2)OCO3)=O)S(N2CCOCC2)(=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2516 |
| logD: | 4.2515 |
| logSw: | -4.2085 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.463 |
| InChI Key: | HLKATHPFGGGQMJ-UHFFFAOYSA-N |