N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}adamantane-1-carboxamide
N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C679-6002 |
| Compound Name: | N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Smiles: | [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(Nc1ccc(cc1)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3423 |
| logD: | 5.3422 |
| logSw: | -5.5905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.727 |
| InChI Key: | NYWFYVQHIDLJGN-UHFFFAOYSA-N |