Delavirdine
N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
| Molecular Formula | C22H28N6O3S |
|---|---|
| Molecular Weight | 456.6 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 119.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.19437 |
| Heavy Atoms | 32 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 136817-59-9 |
|---|---|
| SMILES | CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C |
| InChIKey | WHBIGIKBNXZKFE-UHFFFAOYSA-N |
📖 Product Overview
Delavirdine (CAS: 136817-59-9) is a chemical compound with molecular formula C22H28N6O3S and molecular weight 456.6 g/mol. Its IUPAC systematic name is N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide.
WHBIGIKBNXZKFE-UHFFFAOYSA-N.
SMILES: CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.
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