Chemical ID: 7158269

COc1ccccc1N2CC[NH+](CC2)CC(COc3ccc4c(c3)CCC4)O
Chemical ID:
7158269
Name [?]:
1-indan-5-yloxy-3-[4-(2-methoxyphenyl)-2,3,5,6-tetrahydropyrazin-1-yl]-propan-2-ol
SMILES [?]:
COc1ccccc1N2CC[NH+](CC2)CC(COc3ccc4c(c3)CCC4)O
InChi [?]:
InChI=1/C23H30N2O3/c1-27-23-8-3-2-7-22(23)25-13-11-24(12-14-25)16-20(26)17-28-21-10-9-18-5-4-6-19(18)15-21/h2-3,7-10,15,20,26H,4-6,11-14,16-17H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,5,26,27,25,7,4,21,20,11,13,10,14,24,15,17,22,23,16,19,8,3,12,9,28,2,18/E:(11,12)(13,14)/rA:28cCOCCCCCCNCCN+CCCCCOCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N2O3+
All Atoms:59
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-19.1044
Area:621.71
Solvation:-34.6471
Coulombic:-8.69467
Bond Count [?]
All:31
Single:25
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.504
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.74
LogP (Chemaxon):3.93

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Descriptor Annotations

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