methyl 2-{16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraen-19-yl}acetate
AlkaPlorer ID: AK027749
Synonym: None
IUPAC Name: methyl 2-[(1S,15R,16R,19R,20R)-16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-19-yl]acetate
Structure
SMILES: COC(=O)C[C@H]1CO[C@@](C)(O)[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
InChI: InChI=1S/C22H28N2O4/c1-22(26)17-11-24-8-7-15-14-5-3-4-6-18(14)23-21(15)19(24)10-16(17)13(12-28-22)9-20(25)27-2/h3-6,13,16-17,19,23,26H,7-12H2,1-2H3/t13-,16+,17-,19-,22+/m0/s1
InChIKey: JFXKBFPAEBJNEN-OHNMBIEGSA-N
Source
Properties Information
Molecule Weight: 384.47600000000006
TPSA？: 74.79
MolLogP？: 2.621200000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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