(NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide
Formula:C21H25N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide |
| MolecularFormula | C21H25N3O4S |
| Smiles | O=S(c1ccccc1)(/N=C(/C=CC=C1)\C1=C(N1CCOCC1)N1CCOCC1)=O |
| InChI | InChI=1S/C21H25N3O4S/c25-29(26,18-6-2-1-3-7-18)22-20-9-5-4-8-19(20)21(23-10-14-27-15-11-23)24-12-16-28-17-13-24/h1-9H,10-17H2 |
| InChIK | PLKYKGDYPDCPKY-UHFFFAOYSA-N |
| TotalMolweight | 415.513 |
| Molweight | 415.513 |
| MonoisotopicMass | 415.156577 |
| CLogP | 1.6326 |
| CLogS | -2.664 |
| H Acceptors | 7 |
| TotalSurfaceArea | 310.91 |
| Relative PSA | 0.21611 |
| PolarSurfaceArea | 79.82 |
| Druglikeness | -4.2158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 11 |
| BasicNitrogens | 1 |
| StereoCon |
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