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Chemical ID: 5829635
Chemical ID:
5829635
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
SMILES [?]:
Cc1ccsc1CN2CCC(CC2)C(=O)N(C)CCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H32N2O3S/c1-17-10-14-29-22(17)16-25-12-8-19(9-13-25)23(26)24(2)11-7-18-5-6-20(27-3)21(15-18)28-4/h5-6,10,14-15,19H,7-9,11-13,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,29,27,21,22,19,10,12,3,18,9,13,4,25,7,2,20,11,23,24,6,14,16,8,15,28,26,5/E:(8,9)(12,13)/rA:29nCCCCSCCNCCCCCCONCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3454 |
Area: | 666.279 |
Solvation: | -6.31158 |
Coulombic: | -35.8232 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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