Chemical ID: 5987808

CCOc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3C)c4ccc(cc4)OC
Chemical ID:
5987808
Name [?]:
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-methanone
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3C)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H28N4O3/c1-4-31-23-8-6-5-7-21(23)27-13-15-28(16-14-27)24(29)22-17-20(25-26(22)2)18-9-11-19(30-3)12-10-18/h5-12,17H,4,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,31,2,7,6,8,5,25,29,26,28,11,15,12,14,19,24,27,20,9,18,4,16,21,22,10,13,17,30,3/E:(9,10)(11,12)(13,14)(15,16)/rA:31nCCOCCCCCCNCCNCCCOCCCNNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;d18;s19;d20;s18s21;s22;s20;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.0974
Area:658.003
Solvation:-6.35269
Coulombic:-43.5358
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.504
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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