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Chemical ID: 5293500
Chemical ID:
5293500
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
InChi [?]:
InChI=1/C26H29NO4/c1-16(2)18-10-12-19(13-11-18)23-22-24(28)20-8-5-6-9-21(20)31-25(22)26(29)27(23)14-7-15-30-17(3)4/h5-6,8-13,16-17,23H,7,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,30,31,16,17,26,15,18,5,9,6,8,25,27,2,29,4,7,14,19,11,10,12,21,22,24,13,23,28,20/E:(1,2)(3,4)(10,11)(12,13)/rA:31cCCCCCCCCCCCCOCCCCCCOCCONCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4635 |
Area: | 675.616 |
Solvation: | -4.42686 |
Coulombic: | -44.6512 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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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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