N,N-dibutyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-dibutyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N,N-dibutyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5508-0327 |
| Compound Name: | N,N-dibutyl-2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 543.81 |
| Molecular Formula: | C28 H37 N3 O2 S3 |
| Smiles: | CCCCN(CCCC)C(CSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CC(C)(C)SCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0573 |
| logD: | 7.0573 |
| logSw: | -5.6859 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.166 |
| InChI Key: | QKZYYNQTVRSNBT-UHFFFAOYSA-N |