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 |