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Chemical ID: 5892956
Chemical ID:
5892956
Name [?]:
N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C21H25N3O4/c25-20(22-14-16-5-3-11-27-16)17-13-15(23-21(26)19-6-4-12-28-19)7-8-18(17)24-9-1-2-10-24/h4,6-8,12-13,16H,1-3,5,9-11,14H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:26,27,21,1,20,2,10,11,25,28,22,5,14,18,9,19,13,12,3,15,6,17,8,24,16,7,23,4/E:(1,2)(9,10)/rA:28cCCCOCCONCCCCCCCONCCCCCONCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s21;s19s22;s12;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0188 |
Area: | 614.708 |
Solvation: | -5.34895 |
Coulombic: | -64.1274 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 383.441 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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