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Chemical ID: 7386670
Chemical ID:
7386670
Name [?]:
None
SMILES [?]:
Cc1c(n2c3c(nc2n1c4cccc(c4)OC)n(c(=O)n(c3=O)CCCO)C)C
InChi [?]:
InChI=1/C20H23N5O4/c1-12-13(2)25-16-17(22(3)20(28)23(18(16)27)9-6-10-26)21-19(25)24(12)14-7-5-8-15(11-14)29-4/h5,7-8,11,26H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,17,12,25,11,13,24,26,15,2,3,10,14,5,6,22,8,19,7,18,21,9,4,27,23,20,16/rA:29nCCCNCCNCNCCCCCCOCNCONCOCCCOCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s6;s18;d19;s19;s5s21;d22;s21;s24;s25;s26;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N5O4 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2507 |
Area: | 602.871 |
Solvation: | -4.8211 |
Coulombic: | -77.2888 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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