ChemDB: Chemical Search
Download
Chemical ID: 3954200
Chemical ID:
3954200
Name [?]:
4-[2-acetamido-3-(1-naphthyl)propanoyl]-N-(p-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)C(Cc3cccc4c3cccc4)NC(=O)C
InChi [?]:
InChI=1/C27H30N4O3/c1-19-10-12-23(13-11-19)29-27(34)31-16-14-30(15-17-31)26(33)25(28-20(2)32)18-22-8-5-7-21-6-3-4-9-24(21)22/h3-13,25H,14-18H2,1-2H3,(H,28,32)(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,34,29,28,23,30,24,22,27,3,7,4,6,13,15,12,16,20,2,32,25,21,5,26,19,17,9,31,8,14,11,33,18,10/E:(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCCCCNCONCCNCCCOCCCCCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;s19;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9685 |
Area: | 693.841 |
Solvation: | -5.3775 |
Coulombic: | -66.8637 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 458.552 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.31 |
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 |
---|