1-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
1-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | A0061946 |
| Compound Name: | 1-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C22 H21 Br N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4976 |
| logD: | 2.4974 |
| logSw: | -3.097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.025 |
| InChI Key: | JWSPIFYZONVELG-UHFFFAOYSA-N |