Chemical ID: 5996911

CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4cccc(c4)OC
Chemical ID:
5996911
Name [?]:
[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-tert-butylphenyl)-methanone
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H27N3O3/c1-24(2,3)18-12-10-16(11-13-18)23(28)27-14-6-9-20(27)22-25-21(26-30-22)17-7-5-8-19(15-17)29-4/h5,7-8,10-13,15,20H,6,9,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,30,25,15,24,26,16,7,9,6,10,14,28,8,23,5,27,17,20,18,11,2,19,21,13,12,29,22/E:(1,2,3)(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCCCNCNOCCCCCCOC/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;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.087
Area:642.006
Solvation:-3.96314
Coulombic:-39.1818
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.49
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.76
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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