2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[(pyridin-4-yl)methyl]acetamide
2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D289-0191 |
| Compound Name: | 2-(9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C20 H16 Br N3 O3 S |
| Smiles: | C(c1ccncc1)NC(CN1c2ccc(cc2c2ccccc2S1(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8402 |
| logD: | 2.8369 |
| logSw: | -3.6147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.662 |
| InChI Key: | XPCWTFHGVQQPHS-UHFFFAOYSA-N |