7-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3720 |
| Compound Name: | 7-[(benzyl{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 460.64 |
| Molecular Formula: | C27 H32 N4 O S |
| Smiles: | CCCCC1=NN2C(=NC(CN(Cc3ccccc3)Cc3ccc(cc3)C(C)C)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 6.2497 |
| logD: | 6.1538 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.886 |
| InChI Key: | GBCLKUIPKBTWAP-UHFFFAOYSA-N |