5-(3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
5-(3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 3699-0083 |
| Compound Name: | 5-(3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 552.34 |
| Molecular Formula: | C25 H18 Br N3 O7 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)c(C)n1c1cc(cc(c1)C(O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7701 |
| logD: | -1.3398 |
| logSw: | -4.0564 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.872 |
| InChI Key: | JUNFRSFJSYNDNS-UHFFFAOYSA-N |