butyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0522 |
| Compound Name: | butyl 2-chloro-5-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C20 H17 Cl N2 O5 S |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(C=C2C(NC(NC2=O)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2542 |
| logD: | 4.8166 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.243 |
| InChI Key: | DKXQPRSAZALAHM-UHFFFAOYSA-N |