Chemical ID: 4695912

COc1ccccc1N2CCN(CC2)C3CCc4c(cc[nH]4)C3=O
Chemical ID:
4695912
Name [?]:
5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,5,6,7-tetrahydroindol-4-one
SMILES [?]:
COc1ccccc1N2CCN(CC2)C3CCc4c(cc[nH]4)C3=O
InChi [?]:
InChI=1/C19H23N3O2/c1-24-18-5-3-2-4-16(18)21-10-12-22(13-11-21)17-7-6-15-14(19(17)23)8-9-20-15/h2-5,8-9,17,20H,6-7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,17,16,20,21,10,14,11,13,19,18,8,15,3,23,22,9,12,24,2/E:(10,11)(12,13)/rA:24cCOCCCCCCNCCNCCCCCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;d18;s19;d20;s18s21;s15s19;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.92747
Area:516.406
Solvation:-4.98268
Coulombic:-36.9672
Bond Count [?]
All:27
Single:21
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.405
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):2.12

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