2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3476 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C18 H16 N4 O S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3nc4ccccc4[nH]3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.8196 |
| logD: | 2.819 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.116 |
| InChI Key: | DUGUNEMUKWDZNK-UHFFFAOYSA-N |