Chemical ID: 4577383

CCCCOc1ccccc1C=CC23C(c4ccccc4N2CCC(=O)N3)(C)C
Chemical ID:
4577383
Name [?]:
None
SMILES [?]:
CCCCOc1ccccc1C=CC23C(c4ccccc4N2CCC(=O)N3)(C)C
InChi [?]:
InChI=1/C25H30N2O2/c1-4-5-18-29-22-13-9-6-10-19(22)14-16-25-24(2,3)20-11-7-8-12-21(20)27(25)17-15-23(28)26-25/h6-14,16H,4-5,15,17-18H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,3,9,18,19,8,10,17,20,7,12,24,13,23,4,11,16,21,6,25,15,14,27,22,26,5/E:(2,3)/rA:29cCCCCOCCCCCCCCCCCCCCCCNCCCONCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;s24;d25;s14s25;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.7175
Area:563.178
Solvation:-3.36194
Coulombic:-38.3147
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:390.518
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.19
LogP (Chemaxon):6.31

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