(NE)-N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide
Formula:C19H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide |
| MolecularFormula | C19H14N3O2ClS |
| Smiles | O=S(c1ccccc1)(/N=C(\c1c(C2)cccc1)/N=C(C=C1)N2C=C1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O2S/c20-15-10-11-18-21-19(22-26(24,25)16-7-2-1-3-8-16)17-9-5-4-6-14(17)12-23(18)13-15/h1-11,13H,12H2 |
| InChIK | GVNGGBJTLSYVOZ-UHFFFAOYSA-N |
| TotalMolweight | 383.858 |
| Molweight | 383.858 |
| MonoisotopicMass | 383.049524 |
| CLogP | 2.3427 |
| CLogS | -4.269 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.23 |
| Relative PSA | 0.20333 |
| PolarSurfaceArea | 70.48 |
| Druglikeness | -4.4675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (NE)-N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide | 2 - (NE)-N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide
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