Chemical ID: 5987077

Cn1cccc1c2cc(n(n2)c3ccccc3)C(=O)N4CCN(CC4)c5ccc(cc5)OC
Chemical ID:
5987077
Name [?]:
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(1-methylpyrrol-2-yl)-2-phenyl-pyrazol-3-yl]-methanone
SMILES [?]:
Cn1cccc1c2cc(n(n2)c3ccccc3)C(=O)N4CCN(CC4)c5ccc(cc5)OC
InChi [?]:
InChI=1/C26H27N5O2/c1-28-14-6-9-24(28)23-19-25(31(27-23)21-7-4-3-5-8-21)26(32)30-17-15-29(16-18-30)20-10-12-22(33-2)13-11-20/h3-14,19H,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,15,14,16,4,13,17,5,27,31,28,30,3,22,24,21,25,8,26,12,29,7,6,9,18,11,2,23,20,10,19,32/E:(4,5)(7,8)(10,11)(12,13)(15,16)(17,18)/rA:33nCNCCCCCCCNNCCCCCCCONCCNCCCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s6;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;s21;s22;s23;s20s24;s23;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27N5O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0268
Area:648.487
Solvation:-5.18535
Coulombic:-42.924
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:441.525
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):3.71

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Descriptor Annotations

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