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Chemical ID: 7182284
Chemical ID:
7182284
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2C3C(=O)CC(C=C3Nc4ccccc4N2)(C)C
InChi [?]:
InChI=1/C25H30N2O2/c1-4-5-13-29-18-10-8-9-17(14-18)24-23-21(15-25(2,3)16-22(23)28)26-19-11-6-7-12-20(19)27-24/h6-12,14-15,23-24,26-27H,4-5,13,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,3,23,24,8,9,7,22,25,4,11,18,16,10,6,21,26,19,14,13,12,17,20,27,15,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCOCCCCNCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;s17;s13d18;s19;s20;s21;d22;s23;d24;d21s25;s12s26;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O2 |
All Atoms: | 59 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1731 |
Area: | 609.405 |
Solvation: | -4.06203 |
Coulombic: | -39.6259 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.518 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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