2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G071-0603 |
| Compound Name: | 2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C25 H18 Cl F N4 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccccc2c2c(cnc(n2)SCC(Nc2ccccc2F)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7688 |
| logD: | 4.7687 |
| logSw: | -5.1328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | OPRAQQRZKZNCOL-UHFFFAOYSA-N |