2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3477 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C18 H15 N3 O S3 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3nc4ccccc4s3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.1653 |
| logD: | 4.1653 |
| logSw: | -4.349 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.185 |
| InChI Key: | SEQLTNPRLQPOKK-UHFFFAOYSA-N |