3-[2-(adamantan-1-yl)ethyl]-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(adamantan-1-yl)ethyl]-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(adamantan-1-yl)ethyl]-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-5680 |
| Compound Name: | 3-[2-(adamantan-1-yl)ethyl]-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 479.68 |
| Molecular Formula: | C28 H37 N3 O2 S |
| Smiles: | CCCCC1=Nc2c3c(COC)cc(C)nc3sc2C(N1CCC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4954 |
| logD: | 6.4954 |
| logSw: | -5.7601 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.188 |
| InChI Key: | XYRUHLMJHPPAHX-UHFFFAOYSA-N |