1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide
Formula:C20H29N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide is a drug-like molecule.
| MolName | 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide |
| MolecularFormula | C20H29N4O2S |
| Smiles | CCN(CC)C(c(sc1[nH+]c(N2CCOCC2)c(CCCC2)c2c11)c1N)=O |
| InChI | InChI=1S/C20H28N4O2S/c1-3-23(4-2)20(25)17-16(21)15-13-7-5-6-8-14(13)18(22-19(15)27-17)24-9-11-26-12-10-24/h3-12,21H2,1-2H3/p+1 |
| InChIK | DZESWQADJGZDFL-UHFFFAOYSA-O |
| TotalMolweight | 389.542 |
| Molweight | 389.542 |
| MonoisotopicMass | 389.201121 |
| CLogP | 0.8163 |
| CLogS | -4.936 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.58 |
| Relative PSA | 0.23193 |
| PolarSurfaceArea | 101.18 |
| Druglikeness | -0.2775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 15 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide | 2 - 1-amino-N,N-diethyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide
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