3-[4-(azepan-1-yl)-3-methyl[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[4-(azepan-1-yl)-3-methyl[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-[4-(azepan-1-yl)-3-methyl[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | L553-1711 |
| Compound Name: | 3-[4-(azepan-1-yl)-3-methyl[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | Cc1c2c(nc(CCC(NCc3ccc(cc3)SC)=O)nc2on1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4482 |
| logD: | 4.4464 |
| logSw: | -4.3542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.895 |
| InChI Key: | DGTSSVRKQPZMNC-UHFFFAOYSA-N |