Molecular Identity
Capravirine
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate
PubChem CID: 1783
2D Structure
Properties
C20H20Cl2N4O2S
Molecular Formula
451.40
Molecular Weight
g/mol
450.0684
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
529
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)ClIsomeric SMILES
SMILES: CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)ClSynonyms(20)
Capravirine178979-85-6S-1153CapravirinaVHC779598XAG 549AG1549S 1153DTXSID301706891H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(4-pyridylmethyl)imidazole-2-methanol carbamate (ester)capravirinum(5-((3,5-dichlorophenyl)sulfanyl)-4-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl)methyl carbamate{5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl}methyl carbamate5-[(3,5-Dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)imidazole-2-methanol carbamate (ester)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Capravirine
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