2-(4-methylanilino)-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-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
2-(4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Compound characteristics
| Compound ID: | F475-0244 |
| Compound Name: | 2-(4-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1)NC(COC(c1ccc(cc1)C1Nc2ccccc2S(N1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4094 |
| logD: | 3.4093 |
| logSw: | -3.6629 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.108 |
| InChI Key: | CQFSNUWCQFAWTL-QFIPXVFZSA-N |