butyl 4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
Chemical Structure Depiction of
butyl 4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
butyl 4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
Compound characteristics
| Compound ID: | L810-0457 |
| Compound Name: | butyl 4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C24 H25 Cl N2 O5 S |
| Smiles: | CCCCOC(c1ccc(cc1)N1C=C(C(N2CCCC2)=O)S(c2ccc(cc12)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4589 |
| logD: | 4.4589 |
| logSw: | -4.5369 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.012 |
| InChI Key: | VVQJLZTVQOOSTC-UHFFFAOYSA-N |