Chemical ID: 7079582

CCN(CC)CCN1C(c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4ccccc4F
Chemical ID:
7079582
Name [?]:
None
SMILES [?]:
CCN(CC)CCN1C(c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4ccccc4F
InChi [?]:
InChI=1/C25H27FN2O3/c1-5-27(6-2)11-12-28-22(17-9-7-8-10-19(17)26)21-23(29)18-13-15(3)16(4)14-20(18)31-24(21)25(28)30/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,24,23,2,4,27,28,26,29,6,7,14,17,15,16,25,13,30,18,10,9,11,20,21,31,3,8,12,22,19/E:(1,2)(5,6)/rA:31cCCNCCCCNCCCOCCCCCCOCCOCCCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s16;s15;s9;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27FN2O3
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.8138
Area:638.771
Solvation:-4.15552
Coulombic:-44.1623
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.492
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):4.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue