N-(5-chloro-2-methylphenyl)-2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-(5-chloro-2-methylphenyl)-2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0915 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C21 H19 Cl N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)c1c(cnc(n1)SCC(Nc1cc(ccc1C)[Cl])=O)S(N2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1642 |
| logD: | 4.164 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.895 |
| InChI Key: | MRRUQLFPSKNMOG-UHFFFAOYSA-N |