5-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-8465 |
| Compound Name: | 5-({3-iodo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 534.37 |
| Molecular Formula: | C22 H19 I N2 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)I)OCC=C)OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.633 |
| logD: | 4.258 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.45 |
| InChI Key: | ACCRUURCIQUAPS-UHFFFAOYSA-N |