Chemical ID: 4905748

Cc1c(c(c(c(c1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C
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

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Descriptor Annotations

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