2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0993 |
| Compound Name: | 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 583.08 |
| Molecular Formula: | C27 H23 Cl N4 O5 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CSc1ncc2c(c3ccc(cc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6448 |
| logD: | 4.6448 |
| logSw: | -4.8281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.577 |
| InChI Key: | NGCUKUZOHNRBIL-UHFFFAOYSA-N |