methyl 3-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
methyl 3-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
Compound characteristics
| Compound ID: | L810-0441 |
| Compound Name: | methyl 3-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C21 H19 Cl N2 O5 S |
| Smiles: | COC(c1cccc(c1)N1C=C(C(N2CCCC2)=O)S(c2ccc(cc12)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9727 |
| logD: | 2.9727 |
| logSw: | -3.5475 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.139 |
| InChI Key: | QVCHLQZPKJQDCX-UHFFFAOYSA-N |