propan-2-yl 3-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
propan-2-yl 3-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
propan-2-yl 3-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | D243-0367 |
| Compound Name: | propan-2-yl 3-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC(C)OC(c1cccc(CN2C(c3c4CCCCc4sc3N=N2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5459 |
| logD: | 4.5459 |
| logSw: | -4.6349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.188 |
| InChI Key: | CTZCGTLXKLZJEB-UHFFFAOYSA-N |