2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
Chemical Structure Depiction of
2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
Compound characteristics
| Compound ID: | D356-2655 |
| Compound Name: | 2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide |
| Molecular Weight: | 470.58 |
| Molecular Formula: | C24 H23 F N2 O3 S2 |
| Smiles: | Cc1cccc(CSCCNC(CN2c3ccc(cc3c3ccccc3S2(=O)=O)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7686 |
| logD: | 4.7686 |
| logSw: | -4.5577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.075 |
| InChI Key: | PUDFZEXUPHMSRR-UHFFFAOYSA-N |