5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-9117 |
| Compound Name: | 5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 548.71 |
| Molecular Formula: | C33 H32 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C\c2cc(C)n(c3ccc(cc3)N(C)C)c2C)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.795 |
| logD: | 5.7923 |
| logSw: | -5.4643 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.99 |
| InChI Key: | CFKWXYDJOZZLKJ-UHFFFAOYSA-N |