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Chemical ID: 6749392
Chemical ID:
6749392
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=CC(CC(=O)C3C1c4cccnc4)(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/h5-12,14,21-22,25H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,2,9,8,23,22,10,7,24,14,16,26,21,11,13,6,17,3,19,20,15,25,12,5,18,4/E:(2,3)/rA:28cCCCONCCCCCCNCCCCCOCCCCCCNCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s14;s15;s16;d17;s13s17;s5s19;s20;s21;d22;s23;d24;d21s25;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O2 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.16328 |
Area: | 508.408 |
Solvation: | -4.54693 |
Coulombic: | -36.8973 |
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: | 2.67 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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