ethyl 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3214-0089 |
| Compound Name: | ethyl 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 442.32 |
| Molecular Formula: | C18 H17 Cl2 N3 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C(Nc2cc(c(cc2N1O)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0501 |
| logD: | 4.911 |
| logSw: | -5.2117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.358 |
| InChI Key: | ZCNSRPUWEKLTAE-UHFFFAOYSA-N |