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Chemical ID: 3951270
Chemical ID:
3951270
Name [?]:
2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2O3/c1-11-6-7-15-14(8-11)23(17(25)10-26-15)9-16(24)22-13-5-3-2-4-12(13)18(19,20)21/h2-8H,9-10H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,3,4,7,13,11,2,22,17,6,5,14,9,23,24,25,26,16,8,15,10,12/E:(19,20,21)/rA:26nCCCCCCCNCOCOCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15F3N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40919 |
Area: | 522.441 |
Solvation: | -4.65182 |
Coulombic: | -64.0152 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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