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Chemical ID: 6000142
Chemical ID:
6000142
Name [?]:
N-butyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]naphthalene-2-carboxamide
SMILES [?]:
CCCCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C30H31ClN4O3/c1-2-3-16-34(30(37)24-15-14-21-9-4-5-10-22(21)18-24)20-27(36)35-17-7-6-13-26(35)29-32-28(33-38-29)23-11-8-12-25(31)19-23/h4-5,8-12,14-15,18-19,26H,2-3,6-7,13,16-17,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,34,35,12,11,22,33,36,21,23,13,31,30,4,10,38,25,6,32,37,20,29,24,14,7,17,15,27,26,16,18,5,9,8,28,19/rA:38cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31ClN4O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.8342 |
Area: | 766.059 |
Solvation: | -4.31731 |
Coulombic: | -49.265 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 531.045 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.94 |
LogP (Chemaxon): | 5.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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