5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0994 |
| Compound Name: | 5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1cccn1c1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 2.1678 |
| logD: | 1.7977 |
| logSw: | -2.7594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.772 |
| InChI Key: | BTMQBZOFYRKLBV-UHFFFAOYSA-N |