4-oxo-N-[2-(phenylsulfanyl)phenyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
4-oxo-N-[2-(phenylsulfanyl)phenyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
4-oxo-N-[2-(phenylsulfanyl)phenyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0539 |
| Compound Name: | 4-oxo-N-[2-(phenylsulfanyl)phenyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C23 H19 N3 O2 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(Nc3ccccc3Sc3ccccc3)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.0492 |
| logD: | 4.0415 |
| logSw: | -4.1602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.745 |
| InChI Key: | AXTSEWJCVMNTSM-UHFFFAOYSA-N |