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Chemical ID: 7436430
Chemical ID:
7436430
Name [?]:
6-[[2-[4-(1,3-dioxoisoindolin-2-yl)butanoyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]hexanoic acid
SMILES [?]:
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NCCCCCC(=O)O)C
InChi [?]:
InChI=1/C26H32N2O6/c1-26(2)15-19(27-13-7-3-4-12-22(31)32)23(21(30)16-26)20(29)11-8-14-28-24(33)17-9-5-6-10-18(17)25(28)34/h5-6,9-10,27H,3-4,7-8,11-16H2,1-2H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,34,28,29,19,20,27,12,18,21,11,30,26,13,3,8,17,22,4,9,6,31,5,15,23,2,25,14,10,7,32,33,16,24/E:(1,2)(5,6)(9,10)(17,18)(24,25)(31,32)(33,34)/rA:34nCCCCCCOCCOCCCNCOCCCCCCCONCCCCCCOOC/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;s30;d31;s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O6 |
All Atoms: | 66 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2977 |
Area: | 748.649 |
Solvation: | -5.41847 |
Coulombic: | -79.0112 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.542 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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