3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V018-7330 |
| Compound Name: | 3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C19 H17 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2C(CSc3nnc(COc4ccc(cc4)[Cl])n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1139 |
| logD: | 3.1139 |
| logSw: | -3.4013 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.205 |
| InChI Key: | XPQKZVJHWBLTIA-UHFFFAOYSA-N |