N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenylbutanamide
Chemical Structure Depiction of
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenylbutanamide
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenylbutanamide
Compound characteristics
| Compound ID: | C679-5981 |
| Compound Name: | N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-phenylbutanamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CCC(C(Nc1cccc(c1)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.608 |
| logD: | 4.6078 |
| logSw: | -4.4103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.694 |
| InChI Key: | MLPBDSWVTPNZDB-JOCHJYFZSA-N |