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Chemical ID: 7690960
Chemical ID:
7690960
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C(C)NC(=O)c2cc(nn2C)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C21H28N4O3/c1-14(2)16-5-7-17(8-6-16)15(3)22-20(26)19-13-18(23-24(19)4)21(27)25-9-11-28-12-10-25/h5-8,13-15H,9-12H2,1-4H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,3,11,20,5,9,6,8,24,28,25,27,16,2,10,4,7,17,15,13,21,12,18,19,23,14,22,26/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:28cCCCCCCCCCCCNCOCCCNNCCONCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s10;s12;d13;s13;d15;s16;d17;s15s18;s19;s17;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N4O3 |
All Atoms: | 56 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4701 |
Area: | 625.77 |
Solvation: | -4.17414 |
Coulombic: | -54.5451 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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