N-benzyl-2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
N-benzyl-2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 5627-0017 |
| Compound Name: | N-benzyl-2-{[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 549.71 |
| Molecular Formula: | C29 H31 N3 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(C(=Nc3sc2CO1)SC(C)C(NCc1ccccc1)=O)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3332 |
| logD: | 5.3332 |
| logSw: | -5.3493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.563 |
| InChI Key: | NNCKUDZGGKTVNE-UHFFFAOYSA-N |