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Chemical ID: 3960650
Chemical ID:
3960650
Name [?]:
N'-(3-ethoxypropyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CCOCCCNC(=O)C1CCCN1C(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H24F3N3O3/c1-2-27-12-6-10-22-16(25)15-9-5-11-24(15)17(26)23-14-8-4-3-7-13(14)18(19,20)21/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,12,5,22,19,11,6,13,4,23,18,10,8,15,24,25,26,27,7,17,14,9,16,3/E:(19,20,21)/rA:27cCCOCCCNCOCCCCNCONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24F3N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.82073 |
Area: | 596.835 |
Solvation: | -5.10015 |
Coulombic: | -77.5074 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 387.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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