N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide
Compound characteristics
| Compound ID: | P563-1588 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxo-1,2,3,5-tetrahydro-5lambda~6~-pyrrolo[2,1-c][1,4]benzothiazine-4-carboxamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | COc1ccc(CCNC(C2=C3CCCN3c3ccccc3S2(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7741 |
| logD: | 1.7741 |
| logSw: | -2.5257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.528 |
| InChI Key: | JIRWPUSUADPNNC-UHFFFAOYSA-N |