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-phenoxyphenyl)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-phenoxyphenyl)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-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1496 |
| 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-phenoxyphenyl)acetamide |
| Molecular Weight: | 633.12 |
| Molecular Formula: | C31 H22 Cl F N4 O4 S2 |
| Smiles: | C(c1ccccc1F)N1c2ccc(cc2c2c(cnc(n2)SCC(Nc2ccc(cc2)Oc2ccccc2)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1291 |
| logD: | 7.1291 |
| logSw: | -6.4452 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.064 |
| InChI Key: | FYTIPUVFTWZWSW-UHFFFAOYSA-N |