4-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
4-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8018-9993 |
| Compound Name: | 4-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | Cn1c(CN2C(COc3ccccc23)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.2104 |
| logD: | -0.2141 |
| logSw: | -1.4776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.874 |
| InChI Key: | ISCLWKXHPVYFRK-UHFFFAOYSA-N |