4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 8013-2377 |
| Compound Name: | 4-amino-6-[(4-methoxyphenyl)methyl]-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | COc1ccc(CC2C(N(C(NN=2)=S)N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0161 |
| logD: | 0.998 |
| logSw: | -2.0898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.056 |
| InChI Key: | QLZDNQGMVXBSOY-UHFFFAOYSA-N |