2-{[(5-propyl-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-{[(5-propyl-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-{[(5-propyl-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: | G072-0856 |
| Compound Name: | 2-{[(5-propyl-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: | 361.49 |
| Molecular Formula: | C16 H19 N5 O S2 |
| Smiles: | CCCc1nnc([nH]1)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1377 |
| logD: | 1.8084 |
| logSw: | -2.2232 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.872 |
| InChI Key: | BEWJEDQXWBANBS-UHFFFAOYSA-N |