3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
Formula:C20H21N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide |
| MolecularFormula | C20H21N3OS |
| Smiles | O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H21N3OS/c24-20(22-21-14-15-6-5-13-25-15)11-12-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1,3,5-7,9,13-14H,2,4,8,10-12H2,(H,22,24) |
| InChIK | PHNNUJBJDIUZNW-UHFFFAOYSA-N |
| TotalMolweight | 351.473 |
| Molweight | 351.473 |
| MonoisotopicMass | 351.140532 |
| CLogP | 4.4002 |
| CLogS | -4.772 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.79 |
| Relative PSA | 0.2293 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 2.67 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide | 2 - 3-(1,2,3,4-tetrahydrocarbazol-9-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
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