5-butyl-8-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Chemical Structure Depiction of
5-butyl-8-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
5-butyl-8-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Compound characteristics
| Compound ID: | 5921-0187 |
| Compound Name: | 5-butyl-8-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline |
| Molecular Weight: | 369.55 |
| Molecular Formula: | C20 H23 N3 S2 |
| Smiles: | CCCCc1c2CCCCc2c2c3c(c(ncn3)SCC=C)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7628 |
| logD: | 6.7626 |
| logSw: | -6.012 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.572 |
| InChI Key: | VLCSAZAPOLXBHU-UHFFFAOYSA-N |