ethyl 3-(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 3-(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 3-(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3685-1398 |
| Compound Name: | ethyl 3-(3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 536.38 |
| Molecular Formula: | C26 H22 Br N3 O5 |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4909 |
| logD: | 4.0491 |
| logSw: | -4.2798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.809 |
| InChI Key: | DGEQXIXEBGUHBB-UHFFFAOYSA-N |