Chemical ID: 4512567

CCOC(=O)c1c(c2cc(ccc2[nH]1)OC)CCCN3C(=O)c4ccccc4C3=O
Chemical ID:
4512567
Name [?]:
ethyl 3-[3-(1,3-dioxoisoindolin-2-yl)propyl]-5-methoxy-1H-indole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2cc(ccc2[nH]1)OC)CCCN3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C23H22N2O5/c1-3-30-23(28)20-15(18-13-14(29-2)10-11-19(18)24-20)9-6-12-25-21(26)16-7-4-5-8-17(16)22(25)27/h4-5,7-8,10-11,13,24H,3,6,9,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,25,26,18,24,27,17,11,12,19,9,10,7,23,28,8,13,6,21,29,4,14,20,22,30,5,15,3/E:(4,5)(7,8)(16,17)(21,22)(26,27)/rA:30nCCOCOCCCCCCCCNOCCCCNCOCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s10;s15;s7;s17;s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.498
Area:645.636
Solvation:-4.64293
Coulombic:-66.1427
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.431
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.72
LogP (Chemaxon):2.85

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Descriptor Annotations

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