2-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G769-0823 |
| Compound Name: | 2-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Smiles: | CC(C)CN(CC1=CC(N2C3CCCCC=3SC2=N1)=O)Cc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5629 |
| logD: | 0.6185 |
| logSw: | -3.8051 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.064 |
| InChI Key: | DMSGTHAFWWPVFE-UHFFFAOYSA-N |