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Chemical ID: 5997581
Chemical ID:
5997581
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-2-(4-methoxyphenyl)-acetamide
SMILES [?]:
CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)Cc4ccc(cc4)OC
InChi [?]:
InChI=1/C27H31ClN4O4/c1-18(2)32(24(33)15-19-10-12-22(35-3)13-11-19)17-25(34)31-14-5-4-9-23(31)27-29-26(30-36-27)20-7-6-8-21(28)16-20/h6-8,10-13,16,18,23H,4-5,9,14-15,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,36,11,10,21,20,22,12,30,34,31,33,9,28,24,5,2,29,19,23,32,13,26,6,16,14,25,15,17,8,4,27,7,35,18/E:(1,2)(10,11)(12,13)/rA:36cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31ClN4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5922 |
Area: | 747.685 |
Solvation: | -6.09991 |
Coulombic: | -52.2945 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 511.012 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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