2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G564-0602 |
| Compound Name: | 2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | Cc1ccccc1OCc1nnc(n1C)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0738 |
| logD: | 3.0738 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.749 |
| InChI Key: | AXMKIKZLDHYTNW-UHFFFAOYSA-N |