N-(4-chlorophenyl)-2-({6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-({6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
N-(4-chlorophenyl)-2-({6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G071-0158 |
| Compound Name: | N-(4-chlorophenyl)-2-({6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C25 H18 Cl F N4 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)N1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc(cc2)[Cl])=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0177 |
| logD: | 5.0176 |
| logSw: | -5.1712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | KDZKKTKWEYLWMA-UHFFFAOYSA-N |