Chemical ID: 6045497

CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)N)N(C)C
Chemical ID:
6045497
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)N)N(C)C
InChi [?]:
InChI=1/C24H23N3O3/c1-26(2)15-6-9-19-21(12-15)29-22-13-16(27(3)4)7-10-20(22)24(19)18-8-5-14(25)11-17(18)23(28)30-24/h5-13H,25H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,30,20,5,14,19,6,15,22,9,12,21,4,13,23,18,7,16,8,11,24,17,27,2,28,25,10,26/E:(1,2,3,4)(6,7)(9,10)(12,13)(15,16)(19,20)(21,22)(26,27)/rA:30nCNCCCCCCCOCCCCCCCCCCCCCCOONNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s17s24;s21;s13;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.9705
Area:601.164
Solvation:-4.05862
Coulombic:-57.0201
Bond Count [?]
All:34
Single:24
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:401.458
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):4.1

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