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Chemical ID: 5934554
Chemical ID:
5934554
Name [?]:
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-acetamide
SMILES [?]:
CCCCCN(Cc1cccn1Cc2ccc(cc2)F)C(=O)C
InChi [?]:
InChI=1/C19H25FN2O/c1-3-4-5-12-21(16(2)23)15-19-7-6-13-22(19)14-17-8-10-18(20)11-9-17/h6-11,13H,3-5,12,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,3,4,10,9,15,19,16,18,5,11,13,7,21,14,17,8,20,6,12,22/E:(8,9)(10,11)/rA:23nCCCCCNCCCCCNCCCCCCCFCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s6;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25FN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.001 |
Area: | 545.45 |
Solvation: | -3.63525 |
Coulombic: | -26.3099 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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