efavirenz
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
| Molecular Formula | C14H9ClF3NO2 |
|---|---|
| Molecular Weight | 315.67 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0274 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 154598-52-4 |
|---|---|
| SMILES | C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| InChIKey | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
📖 Product Overview
efavirenz (CAS: 154598-52-4) is a chemical compound with molecular formula C14H9ClF3NO2 and molecular weight 315.67 g/mol. Its IUPAC systematic name is (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one.
XPOQHMRABVBWPR-ZDUSSCGKSA-N.
SMILES: C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F.
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