ethyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
ethyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3684-0223 |
| Compound Name: | ethyl 3-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4708 |
| logD: | 2.4708 |
| logSw: | -2.7451 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 55.237 |
| InChI Key: | XVSFKAZJVKFWCL-UHFFFAOYSA-N |