ethyl 4-{[5'-(1-hydroxyethyl)-6,7-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-3'-yl]amido}benzoate
AlkaPlorer ID: AK422548
Synonym: None
IUPAC Name: ethyl 4-[[(3R,3'S,5'R)-5'-[(1R)-1-hydroxyethyl]-6,7-dimethyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonyl]amino]benzoate
Structure
SMILES: CCOC(=O)C1=CC=C(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)NC2=C(C)C(C)=CC=C23)C=C1
InChI: InChI=1S/C25H29N3O5/c1-5-33-23(31)16-7-9-17(10-8-16)26-22(30)19-12-20(15(4)29)28-25(19)18-11-6-13(2)14(3)21(18)27-24(25)32/h6-11,15,19-20,28-29H,5,12H2,1-4H3,(H,26,30)(H,27,32)/t15-,19-,20-,25+/m1/s1
InChIKey: JKOSDNYQCOIACX-NLJLEJFHSA-N
Source
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Properties Information
Molecule Weight: 451.5230000000002
TPSA？: 116.76
MolLogP？: 2.625140000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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