(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N,2-bis(4-methoxyphenyl)acetamide
Formula:C31H29N5O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N,2-bis(4-methoxyphenyl)acetamide is not a drug-like molecule.
| MolName | (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N,2-bis(4-methoxyphenyl)acetamide |
| MolecularFormula | C31H29N5O4 |
| Smiles | COc1ccc([C@H](C(Nc(cc2)ccc2OC)=O)N(Cc2ccccc2)C(Cn2nnc3c2cccc3)=O)cc1 |
| InChI | InChI=1S/C31H29N5O4/c1-39-25-16-12-23(13-17-25)30(31(38)32-24-14-18-26(40-2)19-15-24)35(20-22-8-4-3-5-9-22)29(37)21-36-28-11-7-6-10-27(28)33-34-36/h3-19,30H,20-21H2,1-2H3,(H,32,38)/t30-/m1/s1 |
| InChIK | LKAVYIOKFPZOHA-SSEXGKCCSA-N |
| TotalMolweight | 535.602 |
| Molweight | 535.602 |
| MonoisotopicMass | 535.221955 |
| CLogP | 3.3758 |
| CLogS | -4.605 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 415.66 |
| Relative PSA | 0.21628 |
| PolarSurfaceArea | 98.58 |
| Druglikeness | 1.4795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.425 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon | this enantiomer |
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1 - (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N,2-bis(4-methoxyphenyl)acetamide | 2 - (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N,2-bis(4-methoxyphenyl)acetamide
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