ChemDB: Chemical Search
Download
Chemical ID: 4823607
Chemical ID:
4823607
Name [?]:
6-morpholino-N,N'-diphenyl-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc4ccccc4
InChi [?]:
InChI=1/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,3,5,22,26,15,19,16,18,4,21,8,10,12,7,20,9,13,11,14,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(23,24)/rA:26nCCCCCCNCNCNCNNCCOCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s17;s14s18;s10;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N6O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.498 |
Area: | 546.192 |
Solvation: | -3.15679 |
Coulombic: | -60.2627 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.402 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 4.05 |
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 |
---|