2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-ethylphenyl)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-(3-ethylphenyl)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-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0697 |
| 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-(3-ethylphenyl)acetamide |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C21 H19 Cl N4 O3 S2 |
| Smiles: | CCc1cccc(c1)NC(CSc1ncc2c(c3cc(ccc3N(C)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7718 |
| logD: | 4.7718 |
| logSw: | -4.7986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.593 |
| InChI Key: | JNDHEKNWJUJFTC-UHFFFAOYSA-N |