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Chemical ID: 4520727
Chemical ID:
4520727
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C25H20N2O2/c28-24-22-20-16-10-4-5-11-17(16)21(19-13-7-6-12-18(19)20)23(22)25(29)27(24)14-26-15-8-2-1-3-9-15/h1-13,20-23,26H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,27,28,3,5,15,18,26,29,8,4,14,19,25,24,13,20,12,21,10,22,7,9,11,23/E:(2,3)(4,5,6,7)(8,9)(10,11,12,13)(16,17,18,19)(20,21)(22,23)(24,25)(28,29)/rA:29cCCCCCCNCNCOCCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;s9s21;d22;s20;s13s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.4505 |
Area: | 548.508 |
Solvation: | -3.26221 |
Coulombic: | -38.4122 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.439 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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