2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-1142 |
| Compound Name: | 2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 585.08 |
| Molecular Formula: | C27 H22 Cl F N4 O4 S2 |
| Smiles: | COc1ccccc1CNC(CSc1ncc2c(c3ccc(cc3N(Cc3ccc(cc3)F)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0416 |
| logD: | 5.0416 |
| logSw: | -5.018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.268 |
| InChI Key: | IQNARBWMXOHVAN-UHFFFAOYSA-N |