HIT ID: HIT212673192
Cas No: 556797-16-1
分子式: C20H21Br2N5O4S
分子量: 587.29
常用名: Macitentan (n-butyl analogue)
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 4.5142627
IUPAC: N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]butane-1-sulfonamide
IUPAC: N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]butane-1-sulfonamide
SMILES: CCCCS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
SMILES: CCCCS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChI key: OZBDTKLWBSATSN-UHFFFAOYSA-N
