N-benzyl-2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-benzyl-2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanamide
N-benzyl-2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 8015-4877 |
| Compound Name: | N-benzyl-2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanamide |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C28 H27 N5 O2 S2 |
| Smiles: | CC(C(NCc1ccccc1)=O)Sc1nnc2N(C(c3c4CCCCc4sc3n12)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.226 |
| logD: | 5.226 |
| logSw: | -5.0651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.758 |
| InChI Key: | IVDRJCSHFSTSDM-SFHVURJKSA-N |