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Chemical ID: 4190767
Chemical ID:
4190767
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4cccnc4)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C23H25N3O2/c1-4-20(28)26-18-10-6-5-9-16(18)25-17-12-23(2,3)13-19(27)21(17)22(26)15-8-7-11-24-14-15/h5-11,14,22,25H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,9,8,18,17,10,7,19,26,24,21,16,11,13,6,22,3,14,15,25,20,12,5,23,4/E:(2,3)/rA:28cCCCONCCCCCCNCCCCCCCNCCOCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;s13s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.19635 |
Area: | 529.099 |
Solvation: | -4.03112 |
Coulombic: | -38.4587 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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