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Chemical ID: 7345287
Chemical ID:
7345287
Name [?]:
None
SMILES [?]:
CCCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C22H21N3O2/c1-2-11-23-21(26)18-12-16-13-7-5-6-10-17(13)24-19(16)20-14-8-3-4-9-15(14)22(27)25(18)20/h3-10,18,20,24H,2,11-12H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,12,13,11,24,27,14,3,8,10,23,22,9,15,7,17,18,5,20,4,16,19,6,21/rA:27cCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d9s16;s17;s7s18;s19;d20;s20;s18s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O2 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7704 |
Area: | 558.416 |
Solvation: | -3.18996 |
Coulombic: | -51.7209 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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