3-[(3-chlorophenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(3-chlorophenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(3-chlorophenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V029-7607 |
| Compound Name: | 3-[(3-chlorophenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(CN2C(CSc3nnc(COc4cccc(c4)[Cl])n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5979 |
| logD: | 4.5979 |
| logSw: | -4.8609 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.661 |
| InChI Key: | OWXHTRHMEKEGPD-UHFFFAOYSA-N |