2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1272 |
| Compound Name: | 2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 553.06 |
| Molecular Formula: | C26 H21 Cl N4 O4 S2 |
| Smiles: | COc1cccc(c1)NC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2274 |
| logD: | 5.2274 |
| logSw: | -5.4959 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.86 |
| InChI Key: | PKFCTMUJAFXELV-UHFFFAOYSA-N |