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Chemical ID: 5284229
Chemical ID:
5284229
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
InChi [?]:
InChI=1/C24H25FN2O3/c1-3-26(4-2)14-9-15-27-21(16-10-5-7-12-18(16)25)20-22(28)17-11-6-8-13-19(17)30-23(20)24(27)29/h5-8,10-13,21H,3-4,9,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,26,16,27,17,7,25,15,28,18,6,8,24,14,29,19,11,10,12,21,22,30,3,9,13,23,20/E:(1,2)(3,4)/rA:30cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3405 |
Area: | 626.595 |
Solvation: | -4.32435 |
Coulombic: | -44.5155 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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