(1S,2R,5R,6R,7S)-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-3-(3-propan-2-yloxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK397019
Synonym: None
IUPAC Name: (1S,2R,5R,6R,7S)-2-N-cyclohexyl-4-oxo-6-N-(4-phenoxyphenyl)-3-(3-propan-2-yloxypropyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CC(C)OCCCN1C(=O)[C@@H]2[C@@H](C(=O)NC3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1
InChI: InChI=1S/C34H41N3O6/c1-22(2)41-21-9-20-37-30(32(39)36-23-10-5-3-6-11-23)34-19-18-27(43-34)28(29(34)33(37)40)31(38)35-24-14-16-26(17-15-24)42-25-12-7-4-8-13-25/h4,7-8,12-19,22-23,27-30H,3,5-6,9-11,20-21H2,1-2H3,(H,35,38)(H,36,39)/t27-,28-,29-,30-,34-/m0/s1
InChIKey: HDFGLWBDNLOYBP-ULYIESCMSA-N
Reference
PubChem CID: 98180796
Source
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Properties Information
Molecule Weight: 587.7169999999999
TPSA？: 106.20000000000002
MolLogP？: 4.832000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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