N-[2-(tert-butylcarbamoyl)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-[2-(tert-butylcarbamoyl)phenyl]-5,5-dioxo-6-(prop-2-en-1-yl)-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
N-[2-(tert-butylcarbamoyl)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: | J097-0538 |
| Compound Name: | N-[2-(tert-butylcarbamoyl)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: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CC(C)(C)NC(c1ccccc1NC(c1ccc2c(c1)c1ccccc1S(N2CC=C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4491 |
| logD: | 4.4411 |
| logSw: | -4.2818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.914 |
| InChI Key: | BUBBQBUKLLWKDT-UHFFFAOYSA-N |