2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-4486 |
| Compound Name: | 2-({6-[(4-chlorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C27 H23 Cl N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSc1ncc2c(c3ccccc3N(Cc3ccc(cc3)[Cl])S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9761 |
| logD: | 5.9761 |
| logSw: | -5.9509 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | YCVWAYZKAJYBAL-UHFFFAOYSA-N |