methyl 6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0099 |
| Compound Name: | methyl 6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]-1,1-dioxo-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H21 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1)NC(CN1C(=C(c2ccccc2)c2cc(ccc2S1(=O)=O)[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4591 |
| logD: | 5.4591 |
| logSw: | -5.8705 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | GGXQHNJWERWULH-UHFFFAOYSA-N |