Drug Information
General Information of This Drug
| Drug ID | DRG00193 | |||||
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| Drug Name | 3-(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester | |||||
| Structure |
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| Formula |
C20H20O5S
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 372.4 | ||||
| Lipid-water partition coefficient (xlogp) | 3.8 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 0 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 6 | |||||
| Rotatable Bond Count (rotbonds) | 9 | |||||
| PubChem CID | ||||||
| Canonical smiles |
COC1=CC(=C(C(=C1)OC)CSC(=O)C2=CC(=CC=C2)OCC#C)OC
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| InChI |
InChI=1S/C20H20O5S/c1-5-9-25-15-8-6-7-14(10-15)20(21)26-13-17-18(23-3)11-16(22-2)12-19(17)24-4/h1,6-8,10-12H,9,13H2,2-4H3
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| InChIKey |
JQGHHKUONSRMAC-UHFFFAOYSA-N
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| IUPAC Name |
S-[(2,4,6-trimethoxyphenyl)methyl] 3-prop-2-ynoxybenzenecarbothioate
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