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Chemical ID: 7041509
Chemical ID:
7041509
Name [?]:
(4-benzylpiperazin-1-yl)-(3,5,6-trimethylbenzofuran-2-yl)-methanone
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)N3CCN(CC3)Cc4ccccc4)C
InChi [?]:
InChI=1/C23H26N2O2/c1-16-13-20-18(3)22(27-21(20)14-17(16)2)23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,27,24,23,25,22,26,16,18,15,19,3,9,20,2,10,5,21,4,8,6,12,17,14,13,7/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCOCCCCCONCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1134 |
Area: | 581.506 |
Solvation: | -2.42429 |
Coulombic: | -33.7793 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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