N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-1335 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 581.07 |
| Molecular Formula: | C27 H21 Cl N4 O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7554 |
| logD: | 4.7554 |
| logSw: | -4.9743 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.754 |
| InChI Key: | ZJGBYOKNZWMOIJ-UHFFFAOYSA-N |