N-(2-morpholin-4-ylethyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
Formula:C22H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-morpholin-4-ylethyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide is a drug-like molecule.
| MolName | N-(2-morpholin-4-ylethyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide |
| MolecularFormula | C22H23N3O3S |
| Smiles | O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)NCCN1CCOCC1 |
| InChI | InChI=1S/C22H23N3O3S/c26-21(23-9-10-25-11-13-28-14-12-25)17-7-5-16(6-8-17)15-20-22(27)24-18-3-1-2-4-19(18)29-20/h1-8,15H,9-14H2,(H,23,26)(H,24,27) |
| InChIK | BFVCAWAKIWCXSO-UHFFFAOYSA-N |
| TotalMolweight | 409.509 |
| Molweight | 409.509 |
| MonoisotopicMass | 409.146012 |
| CLogP | 1.3646 |
| CLogS | -3.909 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.5 |
| Relative PSA | 0.25861 |
| PolarSurfaceArea | 95.97 |
| Druglikeness | 5.0559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-(2-morpholin-4-ylethyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide | 2 - N-(2-morpholin-4-ylethyl)-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
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