2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)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-ethyl-N-(3-methylphenyl)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-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-1347 |
| 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-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 565.11 |
| Molecular Formula: | C28 H25 Cl N4 O3 S2 |
| Smiles: | CCN(C(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0904 |
| logD: | 6.0904 |
| logSw: | -5.8718 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.258 |
| InChI Key: | HIWGZESEJBFBCQ-UHFFFAOYSA-N |