2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Compound characteristics
| Compound ID: | F475-0338 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | Cc1ccc(CNC(COC(c2ccc(cc2)C2Nc3ccccc3S(N2)(=O)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9329 |
| logD: | 2.9327 |
| logSw: | -3.327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.43 |
| InChI Key: | RXLIIWZSUPYSJC-QHCPKHFHSA-N |