2-(1,3-benzothiazol-2-yl)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0130 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 436.12 |
| Molecular Formula: | C16 H8 Br2 N2 O S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1cc(cc(c1O)[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7278 |
| logD: | 5.0472 |
| logSw: | -6.0009 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.223 |
| InChI Key: | ZOFHILQUHXVOEL-UHFFFAOYSA-N |