methyl 4-methoxy-3-({6-[(3-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-({6-[(3-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}methyl)benzoate
methyl 4-methoxy-3-({6-[(3-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}methyl)benzoate
Compound characteristics
| Compound ID: | E871-0424 |
| Compound Name: | methyl 4-methoxy-3-({6-[(3-methylphenyl)methyl]-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl}methyl)benzoate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | Cc1cccc(CN2CCCN(Cc3cc(ccc3OC)C(=O)OC)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.665 |
| logD: | 3.665 |
| logSw: | -3.7921 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.183 |
| InChI Key: | QBYQBIOLTAIVDB-UHFFFAOYSA-N |