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Chemical ID: 6000043
Chemical ID:
6000043
Name [?]:
N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-(2-methoxyethyl)butanamide
SMILES [?]:
CCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C22H29BrN4O4/c1-3-6-19(28)26(13-14-30-2)15-20(29)27-12-5-4-7-18(27)22-24-21(25-31-22)16-8-10-17(23)11-9-16/h8-11,18H,3-7,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,17,16,3,18,26,30,27,29,15,7,8,11,25,28,19,4,12,22,20,31,21,23,6,14,5,13,9,24/E:(8,9)(10,11)/rA:31cCCCCONCCOCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29BrN4O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8572 |
Area: | 688.6 |
Solvation: | -5.35778 |
Coulombic: | -52.4799 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 493.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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