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Chemical ID: 3941155
Chemical ID:
3941155
Name [?]:
N'-phenethyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)C2CCCN2C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H22ClN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,22,24,21,25,7,8,15,4,23,20,12,10,17,26,9,19,16,11,18/E:(2,3)(5,6)(8,9)(10,11)/rA:26cCCCCCCCCNCOCCCCNCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5704 |
Area: | 608.771 |
Solvation: | -3.64891 |
Coulombic: | -53.1093 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 371.86 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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