2-{[(4-methoxyphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(4-methoxyphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(4-methoxyphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3485 |
| Compound Name: | 2-{[(4-methoxyphenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C18 H18 N2 O2 S2 |
| Smiles: | COc1ccc(cc1)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4555 |
| logD: | 3.4555 |
| logSw: | -3.7973 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.647 |
| InChI Key: | NLHPGIOTRNXSRP-UHFFFAOYSA-N |