methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | C200-5709 |
| Compound Name: | methyl 2-[2-(3-acetylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C26 H22 N2 O6 S |
| Smiles: | CC(c1cccc(c1)NC(CN1C(=C(c2ccccc2)c2ccccc2S1(=O)=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9179 |
| logD: | 3.9178 |
| logSw: | -4.072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.55 |
| InChI Key: | AFTPYXJACYGTDU-UHFFFAOYSA-N |