Chemical ID: 5275865

CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)C)c5ccc(cc5)C(C)(C)C
Chemical ID:
5275865
Name [?]:
None
SMILES [?]:
CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)C)c5ccc(cc5)C(C)(C)C
InChi [?]:
InChI=1/C26H25N3O3S/c1-6-19-27-28-25(33-19)29-21(15-8-10-16(11-9-15)26(3,4)5)20-22(30)17-13-14(2)7-12-18(17)32-23(20)24(29)31/h7-13,21H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,31,32,33,2,16,25,29,26,28,17,14,15,24,27,13,18,3,10,9,11,20,21,6,30,4,5,8,12,22,19,7/E:(3,4,5)(8,9)(10,11)/rA:33cCCCNNCSNCCCOCCCCCCOCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s27;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.6442
Area:679.02
Solvation:-3.33129
Coulombic:-40.7701
Bond Count [?]
All:37
Single:26
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:459.561
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.0
LogP (Chemaxon):5.27

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