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Chemical ID: 7079482
Chemical ID:
7079482
Name [?]:
None
SMILES [?]:
CCN(CC)CCN1C(c2c(=O)c3cc(ccc3oc2C1=O)C)c4ccc(c(c4)OCC)OCC
InChi [?]:
InChI=1/C28H34N2O5/c1-6-29(7-2)14-15-30-25(19-11-13-22(33-8-3)23(17-19)34-9-4)24-26(31)20-16-18(5)10-12-21(20)35-27(24)28(30)32/h10-13,16-17,25H,6-9,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,35,32,23,2,4,34,31,16,25,17,26,6,7,14,29,15,24,13,18,27,28,10,9,11,20,21,3,8,12,22,33,30,19/E:(1,2)(6,7)/rA:35cCCNCCCCNCCCOCCCCCCOCCOCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s30;s31;s27;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O5 |
All Atoms: | 69 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0907 |
Area: | 748.046 |
Solvation: | -6.6104 |
Coulombic: | -54.3678 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 478.58 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.97 |
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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