ChemDB: Chemical Search
Download
Chemical ID: 6032543
Chemical ID:
6032543
Name [?]:
1-[(2,5-dimethyl-3-furyl)carbonyl]-N-(3,3-diphenylpropyl)piperidine-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N2CCCC(C2)C(=O)NCCC(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H32N2O3/c1-20-18-26(21(2)33-20)28(32)30-17-9-14-24(19-30)27(31)29-16-15-25(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,18,24-25H,9,14-17,19H2,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,7,25,31,24,26,30,32,12,23,27,29,33,13,20,19,11,3,15,2,5,22,28,14,21,4,16,8,18,10,17,9,6/E:(3,4)(5,6,7,8)(10,11,12,13)(22,23)/rA:33cCCCCCOCCONCCCCCCONCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s21;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.6275 |
Area: | 714.14 |
Solvation: | -4.22598 |
Coulombic: | -46.9375 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 444.565 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|