N-[2-(benzylsulfanyl)ethyl]-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061939 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 540.5 |
| Molecular Formula: | C25 H22 Br N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2453 |
| logD: | 5.2445 |
| logSw: | -5.3834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.573 |
| InChI Key: | KJBYKJIVTOWEMC-UHFFFAOYSA-N |