5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-0969 |
| Compound Name: | 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C31 H27 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)n1c(C)cc(C=C2C(N(C(N(C2=O)c2ccccc2)=S)c2ccccc2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.4136 |
| logD: | 5.4136 |
| logSw: | -5.4244 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.185 |
| InChI Key: | BFQPXGISIXCCMF-UHFFFAOYSA-N |