ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 2368-1459 |
| Compound Name: | ethyl 4-(3-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 552.45 |
| Molecular Formula: | C26 H22 Br N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9956 |
| logD: | 4.8898 |
| logSw: | -4.6464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.647 |
| InChI Key: | LPWRGSYQGOUVAY-UHFFFAOYSA-N |