ethyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
ethyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0181 |
| Compound Name: | ethyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C18 H13 Cl N2 O5 S |
| Smiles: | CCOC(c1cc(ccc1[Cl])c1ccc(C=C2C(NC(NC2=O)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2695 |
| logD: | 3.8319 |
| logSw: | -4.6181 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.949 |
| InChI Key: | JCCZOXWOOVGGRI-UHFFFAOYSA-N |