Chemical ID: 4376402

CCOC(=O)c1c(n(c2c1cc(cc2)O)CCOc3ccc(cc3)C)C
Chemical ID:
4376402
Name [?]:
ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(cc2)O)CCOc3ccc(cc3)C)C
InChi [?]:
InChI=1/C21H23NO4/c1-4-25-21(24)20-15(3)22(19-10-7-16(23)13-18(19)20)11-12-26-17-8-5-14(2)6-9-17/h5-10,13,23H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,21,23,13,20,24,14,16,17,11,22,7,12,19,10,9,6,4,8,15,5,3,18/E:(5,6)(8,9)/rA:26nCCOCOCCNCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s8;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1524
Area:599.984
Solvation:-3.84723
Coulombic:-50.416
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):4.4

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Descriptor Annotations

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