1-(4-bromophenyl)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-2567 |
| Compound Name: | 1-(4-bromophenyl)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C21 H17 Br N2 O4 S |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.1287 |
| logD: | 3.7537 |
| logSw: | -4.2187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.338 |
| InChI Key: | FNRMFCXXHGNDLP-UHFFFAOYSA-N |