4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]butanoic acid
Chemical Structure Depiction of
4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]butanoic acid
4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]butanoic acid
Compound characteristics
| Compound ID: | 6399-0028 |
| Compound Name: | 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1(4H)-yl]butanoic acid |
| Molecular Weight: | 407.33 |
| Molecular Formula: | C18 H19 Br N2 O2 S |
| Smiles: | C1CCC2=C(C1)C(N=C(c1ccc(cc1)[Br])N2CCCC(O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6341 |
| logD: | 0.8205 |
| logSw: | -3.8535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.242 |
| InChI Key: | BHTQJDVWTCQBTE-UHFFFAOYSA-N |