N,N-dibutyl-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-dibutyl-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N,N-dibutyl-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6280-0813 |
| Compound Name: | N,N-dibutyl-2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 581.8 |
| Molecular Formula: | C30 H39 N5 O3 S2 |
| Smiles: | CCCCN(CCCC)C(CSc1nnc2N(CCc3ccccc3)C(c3c4CC(C)(C)OCc4sc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.299 |
| logD: | 6.299 |
| logSw: | -5.435 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.543 |
| InChI Key: | NXJQSDQAHGCWJM-UHFFFAOYSA-N |