2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6583-0079 |
| Compound Name: | 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C24 H29 N5 O2 S2 |
| Smiles: | C1CCN(CC1)C(CSc1c2c(c3c4CCCCc4c(nc3s2)N2CCOCC2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7057 |
| logD: | 4.7055 |
| logSw: | -4.6758 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.721 |
| InChI Key: | MXQVBNOFUXDAEZ-UHFFFAOYSA-N |