ethyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 2368-1439 |
| Compound Name: | ethyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(C=C2C(NC(NC2=O)=S)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 3.1979 |
| logSw: | -3.5035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.044 |
| InChI Key: | CDBZILCETOKHRH-UHFFFAOYSA-N |