6-ethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
6-ethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
6-ethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8007-2910 |
| Compound Name: | 6-ethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C17 H16 N2 O4 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCc1ccc(c(c1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7232 |
| logD: | 4.7232 |
| logSw: | -4.6111 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.883 |
| InChI Key: | KQOGYGVSEGMJRD-UHFFFAOYSA-N |