2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N,N-diethylacetamide
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,N-diethylacetamide
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N,N-diethylacetamide
Compound characteristics
| Compound ID: | G071-0720 |
| 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,N-diethylacetamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C17 H19 Cl N4 O3 S2 |
| Smiles: | CCN(CC)C(CSc1ncc2c(c3cc(ccc3N(C)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1248 |
| logD: | 3.1248 |
| logSw: | -3.4421 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.12 |
| InChI Key: | JBLRWNJVIUAZQK-UHFFFAOYSA-N |