2-({6-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-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: | C200-4808 |
| Compound Name: | 2-({6-[(3-methoxyphenyl)methyl]-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: | 546.67 |
| Molecular Formula: | C28 H26 N4 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSc2ncc3c(c4ccccc4N(Cc4cccc(c4)OC)S3(=O)=O)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.554 |
| logD: | 4.554 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.182 |
| InChI Key: | YWEKHDFJFAFCRA-UHFFFAOYSA-N |