Chemical ID: 4467929

CCCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nnc(s5)C
Chemical ID:
4467929
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nnc(s5)C
InChi [?]:
InChI=1/C24H21N3O4S/c1-3-4-12-30-16-9-7-8-15(13-16)20-19-21(28)17-10-5-6-11-18(17)31-22(19)23(29)27(20)24-26-25-14(2)32-24/h5-11,13,20H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,18,19,8,9,7,17,20,4,11,30,10,6,16,21,13,12,14,23,24,27,29,28,26,15,25,5,22,31/rA:32cCCCCOCCCCCCCCCOCCCCCCOCCONCNNCSC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;d27;s28;d29;s27s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9217
Area:665.681
Solvation:-4.72028
Coulombic:-46.9153
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:447.507
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):3.5

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