2-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G769-1044 |
| Compound Name: | 2-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 457.64 |
| Molecular Formula: | C28 H31 N3 O S |
| Smiles: | CC(C)c1ccc(CN(CC2=CC(N3C4CCCCC=4SC3=N2)=O)Cc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4585 |
| logD: | 5.2908 |
| logSw: | -5.3147 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.815 |
| InChI Key: | PVQPTJHEOQIYDB-UHFFFAOYSA-N |