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Chemical ID: 5997595
Chemical ID:
5997595
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-2,4-dimethoxy-benzamide
SMILES [?]:
CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C27H31ClN4O5/c1-17(2)32(27(34)21-12-11-20(35-3)15-23(21)36-4)16-24(33)31-13-6-5-10-22(31)26-29-25(30-37-26)18-8-7-9-19(28)14-18/h7-9,11-12,14-15,17,22H,5-6,10,13,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,37,35,11,10,21,20,22,12,30,29,9,24,32,5,2,19,23,31,28,13,33,6,16,14,26,25,15,17,8,4,7,27,36,34,18/E:(1,2)/rA:37cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCOCOC/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;d29;s30;d31;d28s32;s33;s34;s31;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31ClN4O5 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.244 |
Area: | 657.367 |
Solvation: | -6.19014 |
Coulombic: | -60.8953 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 527.012 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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