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Chemical ID: 4084753
Chemical ID:
4084753
Name [?]:
1-[4-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)N4CCOCC4
InChi [?]:
InChI=1/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,9,6,8,18,22,24,28,19,21,25,27,2,4,7,11,15,13,10,16,12,14,17,23,3,20,26/E:(2,3)(4,5)(6,7,8,9)(10,11,12,13)(18,19)(21,22)(24,25)(27,28)/rA:28nCCOCCCCCCNCNCNCNNCCOCCNCCOCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;s20;s17s21;s13;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N6O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00568 |
Area: | 582.707 |
Solvation: | -5.56199 |
Coulombic: | -68.8434 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.75 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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