N-(3-acetylphenyl)-2-[(9-chloro-6-methyl-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-acetylphenyl)-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0726 |
| Compound Name: | N-(3-acetylphenyl)-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C21 H17 Cl N4 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(CSc1ncc2c(c3cc(ccc3N(C)S2(=O)=O)[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7223 |
| logD: | 3.7222 |
| logSw: | -4.0846 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.419 |
| InChI Key: | SWDKGBIQFQXPLS-UHFFFAOYSA-N |