methyl 4-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
Compound ID: | 3684-0275 |
Compound Name: | methyl 4-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
Molecular Weight: | 384.41 |
Molecular Formula: | C19 H16 N2 O5 S |
Smiles: | CN1C(C(=Cc2ccc(c3ccc(cc3)C(=O)OC)o2)C(N(C)C1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4428 |
logD: | 2.4428 |
logSw: | -2.4623 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 60.562 |
InChI Key: | KVPPRNRAHFYFRI-UHFFFAOYSA-N |