2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G071-0016 |
| Compound Name: | 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C25 H18 Cl F N4 O3 S2 |
| Smiles: | C(c1ccccc1)N1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc(c(c2)[Cl])F)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1241 |
| logD: | 5.1164 |
| logSw: | -5.4747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | JNEVLVGJPBPVNP-UHFFFAOYSA-N |