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Chemical ID: 6032360
Chemical ID:
6032360
Name [?]:
N-cyclopropyl-2,5-dimethyl-N-[2-(4-pyridylmethylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccncc2)C3CC3
InChi [?]:
InChI=1/C19H23N3O3/c1-13-11-17(14(2)25-13)19(24)22(16-3-4-16)10-7-18(23)21-12-15-5-8-20-9-6-15/h5-6,8-9,11,16H,3-4,7,10,12H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,7,24,25,18,22,12,19,21,11,3,16,2,5,17,23,4,13,8,20,15,10,14,9,6/E:(3,4)(5,6)(8,9)/rA:25nCCCCCOCCONCCCONCCCCNCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s10;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0529 |
Area: | 565.168 |
Solvation: | -4.07626 |
Coulombic: | -47.0253 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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