Chemical ID: 7305918

CCOc1ccccc1N2CCN(CC2)C(=O)CCc3c[nH]c4c3cccc4
Chemical ID:
7305918
Name [?]:
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)CCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H27N3O2/c1-2-28-22-10-6-5-9-21(22)25-13-15-26(16-14-25)23(27)12-11-18-17-24-20-8-4-3-7-19(18)20/h3-10,17,24H,2,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,27,7,6,25,28,8,5,19,18,11,15,12,14,21,20,24,23,9,4,16,22,10,13,17,3/E:(13,14)(15,16)/rA:28nCCOCCCCCCNCCNCCCOCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;s22;s20s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O2
All Atoms:55
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.5758
Area:620.624
Solvation:-4.93983
Coulombic:-40.8878
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.479
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.77
LogP (Chemaxon):4.15

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Descriptor Annotations

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