2-{[(2-aminophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(2-aminophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(2-aminophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G072-0841 |
| Compound Name: | 2-{[(2-aminophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C17 H17 N3 O S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3N)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.636 |
| logD: | 2.636 |
| logSw: | -2.9312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.199 |
| InChI Key: | QFACLHJNVHMDAS-UHFFFAOYSA-N |