N-[3-(methylsulfanyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0143 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C18 H17 N3 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7735 |
| logD: | 2.596 |
| logSw: | -3.3235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.715 |
| InChI Key: | GTITVHKFEWBEOW-UHFFFAOYSA-N |