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Chemical ID: 4563621
Chemical ID:
4563621
Name [?]:
None
SMILES [?]:
CN(C)c1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1
InChi [?]:
InChI=1/C14H16N4O2/c1-18(2)14-13-12(15-7-16-14)8-5-10(19-3)11(20-4)6-9(8)17-13/h5-7,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,15,8,11,19,7,12,9,10,6,5,4,18,20,13,2,16,14/E:(1,2)/rA:20nCNCCCCCCCCCCNOCOCNCN/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s10;s14;s9;s16;s6;d18;d4s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.19387 |
Area: | 448.965 |
Solvation: | -5.03026 |
Coulombic: | -42.3405 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 272.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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