N'-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-N-(1,3-thiazol-2-yl)propanediamide
Formula:C17H19N5O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-N-(1,3-thiazol-2-yl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-N-(1,3-thiazol-2-yl)propanediamide |
| MolecularFormula | C17H19N5O2Cl2S |
| Smiles | O=C(CC(N/N=C\c(cc1)ccc1N(CCCl)CCCl)=O)Nc1nccs1 |
| InChI | InChI=1S/C17H19Cl2N5O2S/c18-5-8-24(9-6-19)14-3-1-13(2-4-14)12-21-23-16(26)11-15(25)22-17-20-7-10-27-17/h1-4,7,10,12H,5-6,8-9,11H2,(H,23,26)(H,20,22,25) |
| InChIK | KSURFFPMWNEDKY-UHFFFAOYSA-N |
| TotalMolweight | 428.343 |
| Molweight | 428.343 |
| MonoisotopicMass | 427.063649 |
| CLogP | 3.3912 |
| CLogS | -4.966 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.84 |
| Relative PSA | 0.29731 |
| PolarSurfaceArea | 114.93 |
| Druglikeness | 5.4082 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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