ChemDB: Chemical Search
Download
Chemical ID: 4141224
Chemical ID:
4141224
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCC(CC3C(=O)N2)NC(=O)C4CCCC4
InChi [?]:
InChI=1/C19H23N3O3/c23-17(12-5-1-2-6-12)20-13-9-10-22-16(11-13)18(24)21-15-8-4-3-7-14(15)19(22)25/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:23,24,1,2,22,25,6,3,11,10,13,21,12,5,4,14,19,15,7,18,17,9,20,16,8/E:(1,2)(5,6)/rA:25cCCCCCCCONCCCCCCONNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s4s15;s12;s18;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.66382 |
Area: | 529.121 |
Solvation: | -3.56421 |
Coulombic: | -59.0904 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.58 |
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 |
---|