Chemical ID: 5284229

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
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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