2-{[(4-chlorophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(4-chlorophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3472 |
| Compound Name: | 2-{[(4-chlorophenyl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 362.9 |
| Molecular Formula: | C17 H15 Cl N2 O S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccc(cc3)[Cl])=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.0679 |
| logD: | 4.0679 |
| logSw: | -4.4724 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.1033 |
| InChI Key: | ODJYGAVMDXQKRN-UHFFFAOYSA-N |