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Chemical ID: 4899537
Chemical ID:
4899537
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
InChi [?]:
InChI=1/C25H28N2O4/c1-4-15-30-18-10-7-9-17(16-18)22-21-23(28)19-11-5-6-12-20(19)31-24(21)25(29)27(22)14-8-13-26(2)3/h5-7,9-12,16,22H,4,8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,17,18,7,27,8,6,16,19,28,26,3,10,9,5,15,20,12,11,13,22,23,29,25,14,24,4,21/E:(2,3)/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.011 |
Area: | 670.721 |
Solvation: | -4.75708 |
Coulombic: | -48.1623 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 420.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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