General Information of the Compound
Compound ID
CP0169740
Compound Name
3,4,5-triethoxy-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
    Show/Hide
Structure
Formula
C24H26N2O5S
Molecular Weight
454.548
Canonical SMILES
CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nc1c(O)ccc2ccccc12
    Show/Hide
InChI
InChI=1S/C24H26N2O5S/c1-4-29-19-13-16(14-20(30-5-2)22(19)31-6-3)23(28)26-24(32)25-21-17-10-8-7-9-15(17)11-12-18(21)27/h7-14,27H,4-6H2,1-3H3,(H2,25,26,28,32)
    Show/Hide
InChIKey
ZPBMNPCDUBKACW-UHFFFAOYSA-N
Physicochemical Property
logP
4.8683
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
89.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1016842
ChEMBL ID
CHEMBL4527348