methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}butanoate
methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | 6583-0093 |
| Compound Name: | methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}butanoate |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | CCC(C(=O)OC)Sc1c2c(c3c4CCCCc4c(nc3s2)N2CCOCC2)ncn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3236 |
| logD: | 5.3234 |
| logSw: | -5.2298 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.774 |
| InChI Key: | DYYQZNFMUYHXRF-HNNXBMFYSA-N |