ChemDB: Chemical Search
Download
Chemical ID: 4898242
Chemical ID:
4898242
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)c5nc(c(s5)C)C
InChi [?]:
InChI=1/C24H20N2O4S/c1-12-5-10-18-17(11-12)21(27)19-20(15-6-8-16(29-4)9-7-15)26(23(28)22(19)30-18)24-25-13(2)14(3)31-24/h5-11,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,24,3,18,22,19,21,4,7,2,27,28,17,20,6,5,10,16,8,11,13,25,26,15,9,14,23,12,29/E:(6,7)(8,9)/rA:31cCCCCCCCCOCCOCONCCCCCCCOCCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s15;d25;s26;d27;s25s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9816 |
Area: | 626.815 |
Solvation: | -4.68879 |
Coulombic: | -47.185 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 432.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.98 |
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 |
---|