3-benzyl-6,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-6,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-benzyl-6,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1302 |
| Compound Name: | 3-benzyl-6,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 428.61 |
| Molecular Formula: | C23 H28 N2 O2 S2 |
| Smiles: | CC(C)CCSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.0371 |
| logD: | 6.0371 |
| logSw: | -5.5609 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.563 |
| InChI Key: | VMLQJOKCDGXMKZ-UHFFFAOYSA-N |