2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0702 |
| Compound Name: | 2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C21 H19 Cl N4 O4 S2 |
| Smiles: | Cc1ccc(c(c1)NC(CSc1ncc2c(c3cc(ccc3N(C)S2(=O)=O)[Cl])n1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8183 |
| logD: | 3.8182 |
| logSw: | -4.2184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.525 |
| InChI Key: | XDJMZKLAFQBAPB-UHFFFAOYSA-N |