1-(4-bromophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1301 |
| Compound Name: | 1-(4-bromophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 525.38 |
| Molecular Formula: | C23 H17 Br N4 O4 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c(C)n1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2387 |
| logD: | 4.1329 |
| logSw: | -4.459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.275 |
| InChI Key: | SWERFRHWCHKRCY-UHFFFAOYSA-N |