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Chemical ID: 6036863
Chemical ID:
6036863
Name [?]:
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[2-[(4-methyl-1-piperidyl)carbonyl]ethyl]furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)N2CCC(CC2)C)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C23H29FN2O3/c1-16-8-11-25(12-9-16)22(27)10-13-26(15-19-4-6-20(24)7-5-19)23(28)21-14-17(2)29-18(21)3/h4-7,14,16H,8-13,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:21,1,7,24,28,25,27,17,19,12,16,20,11,3,22,18,2,5,23,26,4,13,8,29,15,10,14,9,6/E:(4,5)(6,7)(8,9)(11,12)/rA:29nCCCCCOCCONCCCONCCCCCCCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s18;s10;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29FN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8323 |
Area: | 608.285 |
Solvation: | -4.37486 |
Coulombic: | -43.4077 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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