Chemical ID: 5996759

CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5996759
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-tert-butylphenyl)-methanone
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H24ClN3O2/c1-23(2,3)17-10-6-16(7-11-17)22(28)27-14-4-5-19(27)21-25-20(26-29-21)15-8-12-18(24)13-9-15/h6-13,19H,4-5,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,7,9,24,28,6,10,25,27,14,23,8,5,26,17,20,18,11,2,29,19,21,13,12,22/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:29cCCCCCCCCCCCONCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s13s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.4104
Area:639.411
Solvation:-2.57493
Coulombic:-33.1715
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.908
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.47
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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