2-nitro-N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline
Formula:C24H22N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-nitro-N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C24H22N6O4S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCCC2)(=O)=O)c1N/N=C\c1c(-c2ccccc2)nc2n1cccc2)=O |
| InChI | InChI=1S/C24H22N6O4S/c31-30(32)21-16-19(35(33,34)28-13-6-7-14-28)11-12-20(21)27-25-17-22-24(18-8-2-1-3-9-18)26-23-10-4-5-15-29(22)23/h1-5,8-12,15-17,27H,6-7,13-14H2 |
| InChIK | CGSWEDWJULGIGB-UHFFFAOYSA-N |
| TotalMolweight | 490.543 |
| Molweight | 490.543 |
| MonoisotopicMass | 490.142324 |
| CLogP | 4.5308 |
| CLogS | -6.517 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 357.1 |
| Relative PSA | 0.29247 |
| PolarSurfaceArea | 133.27 |
| Druglikeness | -2.6846 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-nitro-N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline | 2 - 2-nitro-N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline
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