1-(4-bromophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-2395 |
| Compound Name: | 1-(4-bromophenyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C22 H14 Br N3 O2 S |
| Smiles: | C#CCn1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0995 |
| logD: | 3.4269 |
| logSw: | -4.2737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.21 |
| InChI Key: | CJVVKQMWJMKFID-UHFFFAOYSA-N |