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Chemical ID: 4700776
Chemical ID:
4700776
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)NC(=O)N(N4)c5ccccc5
InChi [?]:
InChI=1/C20H22N6O2/c27-17-21-19(23-25(17)15-7-3-1-4-8-15)11-13-20(14-12-19)22-18(28)26(24-20)16-9-5-2-6-10-16/h1-10,23-24H,11-14H2,(H,21,27)(H,22,28)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,13,17,14,16,4,23,8,19,11,15,10,18,12,22,7,21,9,20/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCNCONCNCCCCCNCONNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;s11;s13;s14;s15;s11s16;s15;s18;d19;s19;s15s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N6O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9285 |
Area: | 575.2 |
Solvation: | -3.45144 |
Coulombic: | -68.854 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 378.428 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.21 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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