3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061943 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.45 |
| Molecular Formula: | C28 H20 Br N3 O3 S |
| Smiles: | C(c1cccc(c1)[Br])N1C(c2ccc(cc2NC1=S)C(Nc1ccc(cc1)Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8111 |
| logD: | 6.8074 |
| logSw: | -6.1572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.157 |
| InChI Key: | PJIDJMCDVKAMME-UHFFFAOYSA-N |