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Chemical ID: 5521482
Chemical ID:
5521482
Name [?]:
N-(3,4-dimethoxyphenyl)-2-[propyl-[(2,3,4-trifluorophenyl)carbamoylmethyl]amino]-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1ccc(c(c1)OC)OC)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C21H24F3N3O4/c1-4-9-27(12-19(29)26-15-7-6-14(22)20(23)21(15)24)11-18(28)25-13-5-8-16(30-2)17(10-13)31-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,18,16,2,10,25,24,11,3,14,5,19,9,26,23,12,13,6,20,27,28,31,30,29,8,22,4,7,21,17,15/rA:31cCCCNCCONCCCCCCOCOCCCONCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s4;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24F3N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53531 |
Area: | 659.717 |
Solvation: | -9.95762 |
Coulombic: | -68.6698 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 439.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.39 |
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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