methyl 4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
methyl 4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3684-2532 |
| Compound Name: | methyl 4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate |
| Molecular Weight: | 429.22 |
| Molecular Formula: | C19 H13 Br N2 O5 |
| Smiles: | COC(c1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.314 |
| logD: | 3.011 |
| logSw: | -3.6925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.565 |
| InChI Key: | HAIVJFBWGSNYRM-UHFFFAOYSA-N |