ChemDB: Chemical Search
Download
Chemical ID: 7082138
Chemical ID:
7082138
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nc(c(s5)C)C)C)C
InChi [?]:
InChI=1/C26H24N2O3S/c1-6-17-7-9-18(10-8-17)22-21-23(29)19-11-13(2)14(3)12-20(19)31-24(21)25(30)28(22)26-27-15(4)16(5)32-26/h7-12,22H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,31,30,29,2,4,8,5,7,14,17,15,16,26,27,3,6,13,18,10,9,11,20,21,24,25,23,12,22,19,28/E:(7,8)(9,10)/rA:32cCCCCCCCCCCCOCCCCCCOCCONCNCCSCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;d24;s25;d26;s24s27;s27;s26;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O3S |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1532 |
Area: | 658.86 |
Solvation: | -3.31829 |
Coulombic: | -40.9033 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 444.546 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 5.56 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|