N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
Compound characteristics
| Compound ID: | 8007-6659 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C25 H23 Br N2 O2 S2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7303 |
| logD: | 7.73 |
| logSw: | -5.554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.557 |
| InChI Key: | GQTQUBFBLPSXMQ-UHFFFAOYSA-N |