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Chemical ID: 6792185
Chemical ID:
6792185
Name [?]:
1-(1-piperidyl)-2-[1-(pyrrolidin-1-ylcarbonylmethyl)indol-3-yl]-ethane-1,2-dione
SMILES [?]:
c1ccc2c(c1)c(cn2CC(=O)N3CCCC3)C(=O)C(=O)N4CCCCC4
InChi [?]:
InChI=1/C21H25N3O3/c25-19(22-10-6-7-11-22)15-24-14-17(16-8-2-3-9-18(16)24)20(26)21(27)23-12-4-1-5-13-23/h2-3,8-9,14H,1,4-7,10-13,15H2
InChi Info:
AuxInfo=1/0/N:25,1,2,24,26,15,16,6,3,14,17,23,27,8,10,5,7,4,11,18,20,13,22,9,12,19,21/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCCCCCNCCONCCCCCOCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s11;s13;s14;s15;s13s16;s7;d18;s18;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4633 |
Area: | 580.922 |
Solvation: | -4.05977 |
Coulombic: | -49.9028 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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