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Chemical ID: 5892134
Chemical ID:
5892134
Name [?]:
N-[4-(1-piperidyl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)Nc3ccc(c(c3)C(=O)NCC4CCCO4)N5CCCCC5
InChi [?]:
InChI=1/C28H31N3O3/c32-27(22-11-10-20-7-2-3-8-21(20)17-22)30-23-12-13-26(31-14-4-1-5-15-31)25(18-23)28(33)29-19-24-9-6-16-34-24/h2-3,7-8,10-13,17-18,24H,1,4-6,9,14-16,19H2,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:32,1,2,31,33,26,10,3,25,8,7,15,16,30,34,27,5,19,23,9,4,6,14,24,18,17,11,20,22,13,29,12,21,28/E:(4,5)(14,15)/rA:34cCCCCCCCCCCCONCCCCCCCONCCCCCONCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;s25;s26;s24s27;s17;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4962 |
Area: | 710.711 |
Solvation: | -5.27156 |
Coulombic: | -57.8556 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 457.564 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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