2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1467 |
| Compound Name: | 2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 571.05 |
| Molecular Formula: | C26 H20 Cl F N4 O4 S2 |
| Smiles: | COc1ccc(cc1)NC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3F)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4214 |
| logD: | 5.4214 |
| logSw: | -5.819 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.86 |
| InChI Key: | KQMHSGHYOHNGSQ-UHFFFAOYSA-N |