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Chemical ID: 5921366
Chemical ID:
5921366
Name [?]:
2-(cyclopropyl-(ethylcarbamoyl)amino)-N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C3CC3
InChi [?]:
InChI=1/C21H26FN3O2S/c1-3-23-21(27)25(18-9-10-18)14-20(26)24(13-19-11-4-15(2)28-19)12-16-5-7-17(22)8-6-16/h4-8,11,18H,3,9-10,12-14H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,25,2,22,13,17,14,16,27,28,21,11,19,7,23,12,15,26,20,8,4,18,3,10,6,9,5,24/E:(5,6)(7,8)(9,10)/rA:28nCCNCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s23;s6;s26;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26FN3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9715 |
Area: | 613.286 |
Solvation: | -4.36063 |
Coulombic: | -51.7965 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.515 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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