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Chemical ID: 7075549
Chemical ID:
7075549
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
InChi [?]:
InChI=1/C27H32N2O4/c1-4-5-8-18-32-20-14-12-19(13-15-20)24-23-25(30)21-10-6-7-11-22(21)33-26(23)27(31)29(24)17-9-16-28(2)3/h6-7,10-15,24H,4-5,8-9,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,3,19,20,4,29,18,21,9,11,8,12,30,28,5,10,7,17,22,14,13,15,24,25,31,27,16,26,6,23/E:(2,3)(12,13)(14,15)/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O4 |
All Atoms: | 65 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3494 |
Area: | 726.868 |
Solvation: | -4.8223 |
Coulombic: | -48.7602 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 448.554 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.04 |
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.
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