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Chemical ID: 5446286
Chemical ID:
5446286
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)Nc4ccc5c(c4)CCC5
InChi [?]:
InChI=1/C22H21N3O3/c26-19(23-17-9-8-14-5-3-6-16(14)12-17)13-25-20(27)22(24-21(25)28)11-10-15-4-1-2-7-18(15)22/h1-2,4,7-9,12H,3,5-6,10-11,13H2,(H,23,26)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,27,6,28,26,3,22,21,7,8,25,16,23,5,24,20,4,17,10,13,9,19,15,12,18,11,14/rA:28cCCCCCCCCCCONCONCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6672 |
Area: | 576.797 |
Solvation: | -3.75272 |
Coulombic: | -61.1605 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 375.421 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.33 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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