ChemDB: Chemical Search
Download
Chemical ID: 7022336
Chemical ID:
7022336
Name [?]:
N-[5-diethylamino-5-[(4-isopropylphenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCN(CC)C(CCCCNC(=O)c1ccccc1)C(=O)NN=Cc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C27H38N4O2/c1-5-31(6-2)25(14-10-11-19-28-26(32)24-12-8-7-9-13-24)27(33)30-29-20-22-15-17-23(18-16-22)21(3)4/h7-9,12-13,15-18,20-21,25H,5-6,10-11,14,19H2,1-4H3,(H,28,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,5,32,33,2,4,17,16,18,8,9,15,19,7,26,30,27,29,10,24,31,25,28,14,6,12,20,11,23,22,3,13,21/E:(1,2)(3,4)(5,6)(8,9)(12,13)(15,16)(17,18)/rA:33cCCNCCCCCCCNCOCCCCCCCONNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s6;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H38N4O2 |
All Atoms: | 71 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.0742 |
Area: | 774.518 |
Solvation: | -5.28878 |
Coulombic: | -48.2893 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 1 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 450.616 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.45 |
LogP (Chemaxon): | 5.12 |
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 |
---|