N-[(4-chlorophenyl)methyl]-2-({6-[(3-methylphenyl)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-[(4-chlorophenyl)methyl]-2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
N-[(4-chlorophenyl)methyl]-2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C200-5112 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-({6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 551.09 |
| Molecular Formula: | C27 H23 Cl N4 O3 S2 |
| Smiles: | Cc1cccc(CN2c3ccccc3c3c(cnc(n3)SCC(NCc3ccc(cc3)[Cl])=O)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3166 |
| logD: | 5.3166 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.638 |
| InChI Key: | OSZYQCRYDXFOLT-UHFFFAOYSA-N |