2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G071-0349 |
| 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-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1ncc2c(c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3787 |
| logD: | 6.3787 |
| logSw: | -5.472 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | AXGQXVUWKOWNNW-UHFFFAOYSA-N |