N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0822 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CN1C(=CC(c2ccc(c(c2)OC)OC)=NS1(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0465 |
| logD: | 2.0457 |
| logSw: | -2.9136 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.017 |
| InChI Key: | JTAWPFVKKUVQDI-UHFFFAOYSA-N |