N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
Compound characteristics
| Compound ID: | J097-0487 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C23 H20 N2 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(c1ccc2c(c1)c1ccccc1S(N2CC=C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.712 |
| logD: | 4.712 |
| logSw: | -4.4347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.103 |
| InChI Key: | XGHMBXXJOHKYSF-UHFFFAOYSA-N |