Chemical ID: 7436422

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NC4CCCCC4)C
Chemical ID:
7436422
Name [?]:
2-[4-(2-cyclohexylamino-4,4-dimethyl-6-oxo-1-cyclohexenyl)-4-oxo-butyl]isoindoline-1,3-dione
SMILES [?]:
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NC4CCCCC4)C
InChi [?]:
InChI=1/C26H32N2O4/c1-26(2)15-20(27-17-9-4-3-5-10-17)23(22(30)16-26)21(29)13-8-14-28-24(31)18-11-6-7-12-19(18)25(28)32/h6-7,11-12,17,27H,3-5,8-10,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,29,28,30,19,20,12,27,31,18,21,11,13,3,8,26,17,22,4,9,6,5,15,23,2,25,14,10,7,16,24/E:(1,2)(4,5)(6,7)(9,10)(11,12)(18,19)(24,25)(31,32)/rA:32nCCCCCCOCCOCCCNCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;d23;s4;s25;s26;s27;s28;s29;s26s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O4
All Atoms:64
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.9319
Area:672.279
Solvation:-3.8751
Coulombic:-54.1616
Bond Count [?]
All:35
Single:27
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:436.543
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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