[(Z)-[2-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]urea
Formula:C23H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[2-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]urea |
| MolecularFormula | C23H22N4O3 |
| Smiles | NC(N/N=C\c(cccc1)c1OC[C@H](Cn1c(cccc2)c2c2c1cccc2)O)=O |
| InChI | InChI=1S/C23H22N4O3/c24-23(29)26-25-13-16-7-1-6-12-22(16)30-15-17(28)14-27-20-10-4-2-8-18(20)19-9-3-5-11-21(19)27/h1-13,17,28H,14-15H2,(H3,24,26,29)/t17-/m0/s1 |
| InChIK | RHVRWBJWJGZIDQ-KRWDZBQOSA-N |
| TotalMolweight | 402.453 |
| Molweight | 402.453 |
| MonoisotopicMass | 402.169191 |
| CLogP | 3.3317 |
| CLogS | -5.329 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 310.28 |
| Relative PSA | 0.26186 |
| PolarSurfaceArea | 101.87 |
| Druglikeness | 7.1134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - [(Z)-[2-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]urea | 2 - [(Z)-[2-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]methylideneamino]urea
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