ChemDB: Chemical Search
Download
Chemical ID: 4625862
Chemical ID:
4625862
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1)C2N3C(CC(=N3)c4ccccc4)c5ccccc5O2
InChi [?]:
InChI=1/C25H24N2O2/c1-17(2)28-20-14-12-19(13-15-20)25-27-23(21-10-6-7-11-24(21)29-25)16-22(26-27)18-8-4-3-5-9-18/h3-15,17,23,25H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,25,26,18,22,24,27,7,9,6,10,14,2,17,8,5,23,15,13,28,11,16,12,4,29/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:29cCCCOCCCCCCCNCCCNCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s12d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s25;d26;d23s27;s11s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.8584 |
Area: | 602.127 |
Solvation: | -4.19479 |
Coulombic: | -24.4967 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.47 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.21 |
LogP (Chemaxon): | 5.57 |
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 |
---|