3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061120 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 444.35 |
| Molecular Formula: | C20 H18 Br N3 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8307 |
| logD: | 3.8305 |
| logSw: | -4.0093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.332 |
| InChI Key: | MSJLRJXXECLVQG-UHFFFAOYSA-N |