5-[(1-{4-[(4-bromophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-{4-[(4-bromophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-{4-[(4-bromophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4490-1092 |
| Compound Name: | 5-[(1-{4-[(4-bromophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 600.53 |
| Molecular Formula: | C31 H26 Br N3 O3 S |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2cc(C)n(c3ccc(cc3)OCc3ccc(cc3)[Br])c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.307 |
| logD: | 6.2847 |
| logSw: | -5.4967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.121 |
| InChI Key: | JNWVURHCDKFJKD-UHFFFAOYSA-N |