N-(3-bromophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-(3-bromophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C200-5156 |
| Compound Name: | N-(3-bromophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C20 H17 Br N4 O3 S2 |
| Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(Nc2cccc(c2)[Br])=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9917 |
| logD: | 3.9916 |
| logSw: | -4.0196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.312 |
| InChI Key: | FWTPZLCAVSHVOS-UHFFFAOYSA-N |