5-butyl-8-chloro-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Chemical Structure Depiction of
5-butyl-8-chloro-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
5-butyl-8-chloro-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Compound characteristics
| Compound ID: | 4576-0155 |
| Compound Name: | 5-butyl-8-chloro-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline |
| Molecular Weight: | 331.87 |
| Molecular Formula: | C17 H18 Cl N3 S |
| Smiles: | CCCCc1c2CCCCc2c2c3c(c(ncn3)[Cl])sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7972 |
| logD: | 5.7968 |
| logSw: | -6.0103 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 32.078 |
| InChI Key: | DNXXGLNTWKKERQ-UHFFFAOYSA-N |