(3Z)-3-[(2R*,3R*,4R*)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one
Chemical Structure Depiction of
(3Z)-3-[(2R*,3R*,4R*)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one
(3Z)-3-[(2R*,3R*,4R*)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one
Compound characteristics
| Compound ID: | 8018-8160 |
| Compound Name: | (3Z)-3-[(2R*,3R*,4R*)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-hydroxypent-3-en-2-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C15 H13 Br Cl3 N O5 |
| Smiles: | C/C(=C(C(C)=O)\[C@@H]1c2cc(ccc2O[C@@H]([C@H]1[N+]([O-])=O)C([Cl])([Cl])[Cl])[Br])O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6652 |
| logD: | 3.438 |
| logSw: | -3.6575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.498 |
| InChI Key: | PDOMCSKRLYLTKS-RDBSUJKOSA-N |