2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-1039 |
| Compound Name: | 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C27 H23 Cl N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSc2ncc3c(c4ccc(cc4N(Cc4ccccc4)S3(=O)=O)[Cl])n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2146 |
| logD: | 5.2146 |
| logSw: | -5.4637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.638 |
| InChI Key: | FSQRKPMLWZDJKS-UHFFFAOYSA-N |