(2S)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(tetrazol-1-yl)phenyl]azetidine-2-carboxamide
Formula:C24H24N6O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2S)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(tetrazol-1-yl)phenyl]azetidine-2-carboxamide is a drug-like molecule.
| MolName | (2S)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(tetrazol-1-yl)phenyl]azetidine-2-carboxamide |
| MolecularFormula | C24H24N6O2 |
| Smiles | O=C([C@](CC1=O)(/C=C/c2ccccc2)N1c(cc1)ccc1-n1nnnc1)NC1CCCC1 |
| InChI | InChI=1S/C24H24N6O2/c31-22-16-24(15-14-18-6-2-1-3-7-18,23(32)26-19-8-4-5-9-19)30(22)21-12-10-20(11-13-21)29-17-25-27-28-29/h1-3,6-7,10-15,17,19H,4-5,8-9,16H2,(H,26,32)/t24-/m1/s1 |
| InChIK | HBQSBUYJSGEYKZ-XMMPIXPASA-N |
| TotalMolweight | 428.495 |
| Molweight | 428.495 |
| MonoisotopicMass | 428.196074 |
| CLogP | 2.4278 |
| CLogS | -5.147 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.73 |
| Relative PSA | 0.24751 |
| PolarSurfaceArea | 93.01 |
| Druglikeness | 1.44 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon | this enantiomer |
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1 - (2S)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(tetrazol-1-yl)phenyl]azetidine-2-carboxamide | 2 - (2S)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(tetrazol-1-yl)phenyl]azetidine-2-carboxamide
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