methyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3358-3563 |
| Compound Name: | methyl 4-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C29 H20 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(C=C2C(N(C(N(C2=O)c2ccccc2)=S)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9876 |
| logD: | 4.9876 |
| logSw: | -4.8036 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 59.264 |
| InChI Key: | RUZZWVRNEAKMOQ-UHFFFAOYSA-N |