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Chemical ID: 5570664
Chemical ID:
5570664
Name [?]:
N-(2,6-difluorophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)Nc3c(cccc3F)F)(C)C
InChi [?]:
InChI=1/C19H23F2N3O3/c1-11-7-18(2,3)10-19(8-11)16(26)24(17(27)23-19)9-14(25)22-15-12(20)5-4-6-13(15)21/h4-6,11H,7-10H2,1-3H3,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,26,27,21,20,22,3,7,14,5,2,19,23,15,18,8,11,4,6,25,24,17,13,10,16,9,12/E:(2,3)(5,6)(12,13)(20,21)/rA:27cCCCCCCCCONCONCCONCCCCCCFFCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s6s11;s10;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s19;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23F2N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.64404 |
Area: | 552.541 |
Solvation: | -5.1695 |
Coulombic: | -67.8798 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 379.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.09 |
LogP (Chemaxon): | 1.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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