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Chemical ID: 4897663
Chemical ID:
4897663
Name [?]:
None
SMILES [?]:
CCCn1c2c(cc(c1=NC(=O)c3ccncc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
InChi [?]:
InChI=1/C24H23N5O4/c1-4-12-28-20-17(23(31)29-13-6-7-15(3)19(29)26-20)14-18(24(32)33-5-2)21(28)27-22(30)16-8-10-25-11-9-16/h6-11,13-14H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,33,2,22,28,29,14,18,15,17,3,27,7,30,13,6,8,31,5,9,11,24,19,16,32,10,4,26,12,25,20,21/E:(8,9)(10,11)/rA:33nCCCNCCCCCNCOCCCNCCCOOCCCONCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;s4s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s8;d19;s19;s21;s22;s6;d24;s24;s26;d27;s28;d29;s26s30;s5d31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N5O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9142 |
Area: | 632.691 |
Solvation: | -3.90307 |
Coulombic: | -68.4942 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 445.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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