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Chemical ID: 5285674
Chemical ID:
5285674
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3CC(C)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H27N5O2/c1-12(2)11-26-16(22)14(19(27)24-21(4,5)6)10-15-18(26)23-17-13(3)8-7-9-25(17)20(15)28/h7-10,12,22H,11H2,1-6H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:20,21,1,26,27,28,4,3,5,13,18,19,2,14,10,15,7,9,22,11,25,16,8,24,6,17,23,12/E:(1,2)(4,5,6)/rA:28nCCCCCNCNCCCOCCCNNCCCCCONCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;s19;s14;d22;s22;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N5O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.979 |
Area: | 573.158 |
Solvation: | -2.34997 |
Coulombic: | -62.7278 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.472 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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