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Chemical ID: 3944508
Chemical ID:
3944508
Name [?]:
N'-benzyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C2CCCN2C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C19H20ClN3O2/c20-15-8-4-9-16(12-15)22-19(25)23-11-5-10-17(23)18(24)21-13-14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,13,3,5,22,20,12,14,24,7,4,23,19,11,9,16,25,8,18,15,10,17/E:(2,3)(6,7)/rA:25cCCCCCCCNCOCCCCNCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0439 |
Area: | 582.724 |
Solvation: | -3.52416 |
Coulombic: | -53.199 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.834 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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