7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3108 |
| Compound Name: | 7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | COc1ccc(CN(CC2=CC(N3C(=N2)SC(C2CC2)=N3)=O)Cc2ccccc2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7575 |
| logD: | 3.4372 |
| logSw: | -4.0355 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.495 |
| InChI Key: | ZGKRJSNOUQCSST-UHFFFAOYSA-N |