2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-cycloheptylacetamide
Chemical Structure Depiction of
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-cycloheptylacetamide
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-cycloheptylacetamide
Compound characteristics
| Compound ID: | D289-0193 |
| Compound Name: | 2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-cycloheptylacetamide |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 Br N2 O3 S |
| Smiles: | C1CCCC(CC1)NC(CN1c2ccc(cc2c2ccccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.914 |
| logD: | 4.914 |
| logSw: | -4.7292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.29 |
| InChI Key: | KVNHHAJEVYNISI-UHFFFAOYSA-N |