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Chemical ID: 5996648
Chemical ID:
5996648
Name [?]:
(4-pentylphenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H29N3O2/c1-3-4-5-7-19-11-15-21(16-12-19)25(29)28-17-6-8-22(28)24-26-23(27-30-24)20-13-9-18(2)10-14-20/h9-16,22H,3-8,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,3,4,16,5,17,26,28,7,11,25,29,8,10,15,27,6,24,9,18,21,19,12,20,22,14,13,23/E:(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCCCCCONCCCCCNCNOCCCCCCC/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.218 |
Area: | 673.182 |
Solvation: | -2.61154 |
Coulombic: | -33.3802 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.07 |
LogP (Chemaxon): | 6.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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