2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | G071-0357 |
Compound Name: | 2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
Molecular Weight: | 530.67 |
Molecular Formula: | C28 H26 N4 O3 S2 |
Smiles: | Cc1cccc(CN2c3ccccc3c3c(cnc(n3)SCC(NCCc3ccccc3)=O)S2(=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.4966 |
logD: | 4.4966 |
logSw: | -4.3055 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.479 |
InChI Key: | QYWAIZQCUIFKJW-UHFFFAOYSA-N |