6-chloro-N-[(Z)-(3,5-diphenylcyclohex-2-en-1-ylidene)amino]-4-phenylquinazolin-2-amine
Formula:C32H25N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-chloro-N-[(Z)-(3,5-diphenylcyclohex-2-en-1-ylidene)amino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(3,5-diphenylcyclohex-2-en-1-ylidene)amino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C32H25N4Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C(/CC(C3)c4ccccc4)\C=C3c3ccccc3)nc2cc1 |
| InChI | InChI=1S/C32H25ClN4/c33-27-16-17-30-29(21-27)31(24-14-8-3-9-15-24)35-32(34-30)37-36-28-19-25(22-10-4-1-5-11-22)18-26(20-28)23-12-6-2-7-13-23/h1-17,19,21,26H,18,20H2,(H,34,35,37)/t26-/m0/s1 |
| InChIK | SUQKUGYREMIPPN-SANMLTNESA-N |
| TotalMolweight | 501.032 |
| Molweight | 501.032 |
| MonoisotopicMass | 500.176773 |
| CLogP | 9.7952 |
| CLogS | -8.255 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 385.74 |
| Relative PSA | 0.11643 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.7737 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - 6-chloro-N-[(Z)-(3,5-diphenylcyclohex-2-en-1-ylidene)amino]-4-phenylquinazolin-2-amine | 2 - 6-chloro-N-[(Z)-(3,5-diphenylcyclohex-2-en-1-ylidene)amino]-4-phenylquinazolin-2-amine
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