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Chemical ID: 3960593
Chemical ID:
3960593
Name [?]:
N'-isopropyl-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(C)NC(=O)C1CCCN1C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C15H20FN3O2/c1-10(2)17-14(20)13-8-5-9-19(13)15(21)18-12-7-4-3-6-11(12)16/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,9,19,16,8,10,2,20,15,7,5,12,21,4,14,11,6,13/E:(1,2)/rA:21cCCCNCOCCCCNCONCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20FN3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.45578 |
Area: | 484.831 |
Solvation: | -3.66498 |
Coulombic: | -55.5822 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.88 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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