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Chemical ID: 5997608
Chemical ID:
5997608
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-(2-methoxyethyl)-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N(CCOC)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C28H33ClN4O4/c1-3-23(20-9-5-4-6-10-20)28(35)32(17-18-36-2)19-25(34)33-16-8-7-11-24(33)27-30-26(31-37-27)21-12-14-22(29)15-13-21/h4-6,9-10,12-15,23-24H,3,7-8,11,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,7,6,8,23,22,5,9,24,32,36,33,35,21,13,14,17,4,31,34,3,25,18,28,26,10,37,27,29,12,20,19,11,15,30/E:(5,6)(9,10)(12,13)(14,15)/rA:37cCCCCCCCCCCONCCOCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12;s17;d18;s18;s20;s21;s22;s23;s20s24;s25;d26;s27;d28;s26s29;s28;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33ClN4O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.4728 |
Area: | 738.108 |
Solvation: | -5.97986 |
Coulombic: | -54.7616 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 525.039 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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