6-chloro-4-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
6-chloro-4-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
6-chloro-4-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0397 |
| Compound Name: | 6-chloro-4-(3,4-dimethoxyphenyl)-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Smiles: | COc1ccc(cc1OC)N1C=C(C(N2CCCC2)=O)S(c2ccc(cc12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5456 |
| logD: | 2.5456 |
| logSw: | -3.1486 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.226 |
| InChI Key: | VBBLPPZEAJBPLM-UHFFFAOYSA-N |