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Chemical ID: 5934705
Chemical ID:
5934705
Name [?]:
N-cyclohexyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]cyclobutanecarboxamide
SMILES [?]:
Cc1cccc(c1)Cn2cccc2CN(C3CCCCC3)C(=O)C4CCC4
InChi [?]:
InChI=1/C24H32N2O/c1-19-8-5-9-20(16-19)17-25-15-7-14-23(25)18-26(22-12-3-2-4-13-22)24(27)21-10-6-11-21/h5,7-9,14-16,21-22H,2-4,6,10-13,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,4,26,11,3,5,25,27,17,21,12,10,7,8,14,2,6,24,16,13,22,9,15,23/E:(3,4)(10,11)(12,13)/rA:27nCCCCCCCCNCCCCCNCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s13;s14;s15;s16;s17;s18;s19;s16s20;s15;d22;s22;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7899 |
Area: | 564.779 |
Solvation: | -2.32958 |
Coulombic: | -24.3205 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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