Capravirine
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate
| Molecular Formula | C20H20Cl2N4O2S |
|---|---|
| Molecular Weight | 451.4 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 108.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0684 |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 178979-85-6 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | YQXCVAGCMNFUMQ-UHFFFAOYSA-N |
📖 Product Overview
Capravirine (CAS: 178979-85-6) is a chemical compound with molecular formula C20H20Cl2N4O2S and molecular weight 451.4 g/mol. Its IUPAC systematic name is [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate.
YQXCVAGCMNFUMQ-UHFFFAOYSA-N.
SMILES: CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl.
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