1-[4-(adamantan-1-yl)phenyl]-5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)phenyl]-5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
1-[4-(adamantan-1-yl)phenyl]-5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | Y508-6529 |
| Compound Name: | 1-[4-(adamantan-1-yl)phenyl]-5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 591.5 |
| Molecular Formula: | C31 H31 Br N2 O5 |
| Smiles: | COc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)C23CC4CC(CC(C4)C3)C2)=O)=O)c(cc1OCC=C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1486 |
| logD: | 5.1583 |
| logSw: | -5.5636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.287 |
| InChI Key: | DLKKEVWATQDAJY-UHFFFAOYSA-N |