2-({benzyl[(4-chlorophenyl)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-chlorophenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({benzyl[(4-chlorophenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G769-0420 |
| Compound Name: | 2-({benzyl[(4-chlorophenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 450 |
| Molecular Formula: | C25 H24 Cl N3 O S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CN(Cc3ccccc3)Cc3ccc(cc3)[Cl])=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.7151 |
| logD: | 4.6989 |
| logSw: | -4.9931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.815 |
| InChI Key: | YXOAUZFMYJZBAX-UHFFFAOYSA-N |