ChemDB: Chemical Search
Download
Chemical ID: 3906279
Chemical ID:
3906279
Name [?]:
N-[cyclopentylcarbamoyl-(4-morpholinophenyl)-methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(C(c2ccc(cc2)N3CCOCC3)C(=O)NC4CCCC4)C(=O)c5ccco5
InChi [?]:
InChI=1/C29H33N3O4/c1-21-8-12-25(13-9-21)32(29(34)26-7-4-18-36-26)27(28(33)30-23-5-2-3-6-23)22-10-14-24(15-11-22)31-16-19-35-20-17-31/h4,7-15,18,23,27H,2-3,5-6,16-17,19-20H2,1H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,27,28,34,26,29,33,3,7,11,15,4,6,12,14,17,21,35,18,20,2,10,25,13,5,32,9,22,30,24,16,8,23,31,19,36/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:36cCCCCCCCNCCCCCCCNCCOCCCONCCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s16s20;s9;d22;s22;s24;s25;s26;s27;s25s28;s8;d30;s30;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H33N3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8858 |
Area: | 685.602 |
Solvation: | -5.25431 |
Coulombic: | -63.6952 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 487.59 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.29 |
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 |
---|