N-(6-bromo-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(6-bromo-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3,4,5-trimethoxybenzamide
N-(6-bromo-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 0934-0104 |
| Compound Name: | N-(6-bromo-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 437.31 |
| Molecular Formula: | C18 H17 Br N2 O4 S |
| Smiles: | CN1\C(=N/C(c2cc(c(c(c2)OC)OC)OC)=O)Sc2cc(ccc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.606 |
| logD: | 3.606 |
| logSw: | -3.9346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.274 |
| InChI Key: | XKLXNSZKZXVYIA-UHFFFAOYSA-N |