1-(3-bromophenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-bromophenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-0775 |
| Compound Name: | 1-(3-bromophenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 498.37 |
| Molecular Formula: | C23 H17 Br F N3 O2 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=S)=O)c(C)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.383 |
| logD: | 3.8516 |
| logSw: | -4.4036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | MRSJVVQMTPZIFP-UHFFFAOYSA-N |