Chemical Name - Diltiazem
Mol Weight - 414.524
Smiles - CC(O[C@H]([C@H](c(cc1)ccc1OC)Sc(cccc1)c1N1CCN(C)C)C1=O)=O
Mol Weight - 414.524
Smiles - CC(O[C@H]([C@H](c(cc1)ccc1OC)Sc(cccc1)c1N1CCN(C)C)C1=O)=O
| Property Value | |
| Mol Name | Diltiazem |
| Molweight | 414.524 |
| Monoisotopic Mass | 414.161328 |
| Clogp | 2.4906 |
| Clogs | -3.408 |
| H Acceptors | 6 |
| Total Surface Area | 314.67 |
| Relative Psa | 0.22458 |
| Polar Surface Area | 84.38 |
| Druglikeness | 7.5036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.48276 |
| Molecular Flexibility | 0.37986 |
| Molecular Complexity | 0.88286 |
| Fragments | 1 |
| Non H Atoms | 29 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 2 |
| Rotatable Bonds | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 12 |
| Symmetric Atoms | 3 |
| Amides | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(O[C@H]([C@H](c(cc1)ccc1OC)Sc(cccc1)c1N1CCN(C)C)C1=O)=O |
| InChIKey | |
| InChI | C22H26N2O4S |
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