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Chemical ID: 7393945
Chemical ID:
7393945
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)OC)n(c1=O)C
InChi [?]:
InChI=1/C17H19N5O3/c1-4-20-15(23)13-14(19(2)17(20)24)18-16-21(9-10-22(13)16)11-5-7-12(25-3)8-6-11/h5-8H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,21,2,15,19,16,18,12,11,14,17,6,7,4,9,23,8,22,3,13,10,5,24,20/E:(5,6)(7,8)/rA:25nCCNCOCCNCNCCNCCCCCCOCNCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s7;s3s22;d23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N5O3 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35333 |
Area: | 521.791 |
Solvation: | -3.69145 |
Coulombic: | -62.2487 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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