Chemical ID: 4984636

c1ccc(cc1)Cn2c3ccccc3c(n2)OCCN4CCCCC4
Chemical ID:
4984636
Name [?]:
1-benzyl-3-[2-(1-piperidyl)ethoxy]indazole
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c(n2)OCCN4CCCCC4
InChi [?]:
InChI=1/C21H25N3O/c1-3-9-18(10-4-1)17-24-20-12-6-5-11-19(20)21(22-24)25-16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,12,11,22,24,3,5,13,10,21,25,19,18,7,4,14,9,15,16,20,8,17/E:(3,4)(7,8)(9,10)(13,14)/rA:25nCCCCCCCNCCCCCCCNOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s15;s17;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9177
Area:563.348
Solvation:-3.16598
Coulombic:-22.2109
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.443
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.62
LogP (Chemaxon):4.64

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Experimental Annotations

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Descriptor Annotations

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