5-{[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3619-0134 |
| Compound Name: | 5-{[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C16 H17 Br N2 O4 S |
| Smiles: | CC(C)COc1c(cc(C=C2C(NC(NC2=O)=S)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.8849 |
| logD: | 3.4593 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.929 |
| InChI Key: | OQFNZONALZMRKL-UHFFFAOYSA-N |