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Chemical ID: 5934587
Chemical ID:
5934587
Name [?]:
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-cyclobutanecarboxamide
SMILES [?]:
CCCCCN(Cc1cccn1Cc2ccc(cc2)F)C(=O)C3CCC3
InChi [?]:
InChI=1/C22H29FN2O/c1-2-3-4-14-25(22(26)19-7-5-8-19)17-21-9-6-15-24(21)16-18-10-12-20(23)13-11-18/h6,9-13,15,19H,2-5,7-8,14,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,25,10,24,26,9,15,19,16,18,5,11,13,7,14,23,17,8,21,20,12,6,22/E:(7,8)(10,11)(12,13)/rA:26nCCCCCNCCCCCNCCCCCCCFCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s6;d21;s21;s23;s24;s23s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29FN2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3449 |
Area: | 592.996 |
Solvation: | -3.47996 |
Coulombic: | -27.6419 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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