ChemDB: Chemical Search
Download
Chemical ID: 7343080
Chemical ID:
7343080
Name [?]:
None
SMILES [?]:
CC(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C25H27N3O3/c1-15(2)11-12-26-25(29)21-14-18-17-7-5-6-8-20(17)27-23(18)24(28-21)19-13-16(30-3)9-10-22(19)31-4/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,29,14,15,13,16,25,26,4,5,23,10,2,24,12,11,22,17,9,27,19,20,7,6,18,21,8,30,28/E:(1,2)/rA:31nCCCCCNCOCCCCCCCCCNCCNCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;d9s20;s20;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27N3O3 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8155 |
Area: | 662.697 |
Solvation: | -4.75191 |
Coulombic: | -55.4401 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.49 |
LogP (Chemaxon): | 4.94 |
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 |
---|