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Chemical ID: 5895956
Chemical ID:
5895956
Name [?]:
N-[3-(cyclopropylcarbamoyl)-4-(4-methyl-1-piperidyl)-phenyl]furan-2-carboxamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC3CC3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H25N3O3/c1-14-8-10-24(11-9-14)18-7-6-16(23-21(26)19-3-2-12-27-19)13-17(18)20(25)22-15-4-5-15/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,25,24,18,19,10,9,3,7,4,6,26,12,2,17,11,13,8,23,14,21,16,20,5,15,22,27/E:(4,5)(8,9)(10,11)/rA:27nCCCCNCCCCCCCCCONCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17s18;s11;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.954 |
Area: | 598.378 |
Solvation: | -4.00542 |
Coulombic: | -56.7538 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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