N-benzyl-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061123 |
| Compound Name: | N-benzyl-3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7869 |
| logD: | 4.786 |
| logSw: | -4.8447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.731 |
| InChI Key: | UOPASGDLKXFJHL-UHFFFAOYSA-N |