5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3699-0626 |
| Compound Name: | 5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 466.29 |
| Molecular Formula: | C22 H16 Br N3 O4 |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2cccn2c2ccc(cc2)[Br])\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0147 |
| logD: | 3.7557 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.464 |
| InChI Key: | QVSRAGZAQNWNRR-UHFFFAOYSA-N |