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Chemical ID: 7075475
Chemical ID:
7075475
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OCC)OCCC(C)C
InChi [?]:
InChI=1/C31H40N2O5/c1-6-32(7-2)17-11-18-33-28(22-14-15-25(26(20-22)36-8-3)37-19-16-21(4)5)27-29(34)23-12-9-10-13-24(23)38-30(27)31(33)35/h9-10,12-15,20-21,28H,6-8,11,16-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,32,37,38,2,4,31,16,17,7,15,18,25,26,35,6,8,34,29,36,24,14,19,27,28,11,10,12,21,22,3,9,13,23,30,33,20/E:(1,2)(4,5)(6,7)/rA:38cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCOCCOCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;s30;s31;s27;s33;s34;s35;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H40N2O5 |
All Atoms: | 78 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.9705 |
Area: | 825.787 |
Solvation: | -6.67418 |
Coulombic: | -55.5159 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 520.66 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.32 |
LogP (Chemaxon): | 4.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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