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Chemical ID: 5996809
Chemical ID:
5996809
Name [?]:
(4-pentylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-methanone
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C24H27N3O2/c1-2-3-5-9-18-13-15-20(16-14-18)24(28)27-17-8-12-21(27)23-25-22(26-29-23)19-10-6-4-7-11-19/h4,6-7,10-11,13-16,21H,2-3,5,8-9,12,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,27,4,26,28,16,5,25,29,17,7,11,8,10,15,6,24,9,18,21,19,12,20,22,14,13,23/E:(6,7)(10,11)(13,14)(15,16)/rA:29cCCCCCCCCCCCCONCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5612 |
Area: | 646.942 |
Solvation: | -2.61235 |
Coulombic: | -33.6334 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.63 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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