ChemDB: Chemical Search
Download
Chemical ID: 4905748
Chemical ID:
4905748
Name [?]:
1-aziridin-1-yl-2-[4-(aziridin-1-ylcarbonylmethyl)-2,3,5,6-tetramethyl-phenyl]-ethanone
SMILES [?]:
Cc1c(c(c(c(c1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C
InChi [?]:
InChI=1/C18H24N2O2/c1-11-12(2)16(10-18(22)20-7-8-20)14(4)13(3)15(11)9-17(21)19-5-6-19/h5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,12,13,20,21,8,16,2,3,6,5,7,4,9,17,11,19,10,18/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCCCONCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11s12;s6;s5;s4;s16;d17;s17;s19;s19s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05845 |
Area: | 517.202 |
Solvation: | -4.8716 |
Coulombic: | -28.5859 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|