methyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
methyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3609-0281 |
| Compound Name: | methyl 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 507.57 |
| Molecular Formula: | C29 H21 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)n1c(cc(C=C2C(NC(NC2=O)=S)=O)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8695 |
| logD: | 5.4792 |
| logSw: | -5.6641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.98 |
| InChI Key: | MVCKGRQDLJSBCU-UHFFFAOYSA-N |