Chemical ID: 4623589

CCN(CC)c1ccc(cc1)C=CC23C(c4cc(ccc4N2CC(=O)N3)C)(C)C
Chemical ID:
4623589
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C=CC23C(c4cc(ccc4N2CC(=O)N3)C)(C)C
InChi [?]:
InChI=1/C25H31N3O/c1-6-27(7-2)20-11-9-19(10-12-20)14-15-25-24(4,5)21-16-18(3)8-13-22(21)28(25)17-23(29)26-25/h8-16H,6-7,17H2,1-5H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,5,27,28,29,2,4,19,8,10,7,11,20,12,13,17,23,18,9,6,16,21,24,15,14,26,3,22,25/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:29cCCNCCCCCCCCCCCCCCCCCCNCCONCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;d24;s14s24;s18;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.8681
Area:590.777
Solvation:-2.90132
Coulombic:-37.1366
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.533
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.26
LogP (Chemaxon):6.59

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