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Chemical ID: 5528918
Chemical ID:
5528918
Name [?]:
None
SMILES [?]:
CCCc1ccc(cc1)C(=O)C(C)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C24H24N2O4/c1-3-5-16-7-9-17(10-8-16)22(27)15(2)30-24(29)18-11-12-19-20(14-18)25-21-6-4-13-26(21)23(19)28/h7-12,14-15H,3-6,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,29,3,30,5,9,6,8,18,19,28,22,12,4,7,17,20,21,24,10,26,15,23,25,11,27,16,14/E:(7,8)(9,10)/rA:30cCCCCCCCCCCOCCOCOCCCCCCNCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s24;s20s25;d26;s25;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4189 |
Area: | 649.74 |
Solvation: | -3.82461 |
Coulombic: | -51.1173 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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