5,5-dioxo-6-(prop-2-en-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Chemical Structure Depiction of
5,5-dioxo-6-(prop-2-en-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
5,5-dioxo-6-(prop-2-en-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Compound characteristics
| Compound ID: | J097-0388 |
| Compound Name: | 5,5-dioxo-6-(prop-2-en-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | C=CCN1c2ccc(cc2c2ccccc2S1(=O)=O)C(Nc1ccccc1C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1582 |
| logD: | 4.1312 |
| logSw: | -4.2074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.42 |
| InChI Key: | RFEADNRYDLHDLL-UHFFFAOYSA-N |