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Chemical ID: 7379821
Chemical ID:
7379821
Name [?]:
None
SMILES [?]:
Cc1ccccc1Cn2c(=O)c3c(nc4n3CCN4c5cccc(c5)OC)n(c2=O)C
InChi [?]:
InChI=1/C23H23N5O3/c1-15-7-4-5-8-16(15)14-28-21(29)19-20(25(2)23(28)30)24-22-26(11-12-27(19)22)17-9-6-10-18(13-17)31-3/h4-10,13H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,27,4,5,22,3,6,21,23,18,17,25,8,2,7,20,24,12,13,10,15,29,14,28,19,16,9,11,30,26/rA:31nCCCCCCCCNCOCCNCNCCNCCCCCCOCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;s15s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s13;s9s28;d29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N5O3 |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2422 |
Area: | 618.408 |
Solvation: | -4.21797 |
Coulombic: | -63.5787 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 417.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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