2-amino-4-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1387 |
| Compound Name: | 2-amino-4-{5-bromo-2-[(prop-2-yn-1-yl)oxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 397.23 |
| Molecular Formula: | C19 H13 Br N2 O3 |
| Smiles: | C#CCOc1ccc(cc1C1C(C#N)=C(N)Oc2cc(ccc12)O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5154 |
| logD: | 3.5151 |
| logSw: | -3.7046 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.415 |
| InChI Key: | TXLCBQLZWRLHPK-SFHVURJKSA-N |