N-[(2-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061351 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6062 |
| logD: | 4.6036 |
| logSw: | -4.291 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.612 |
| InChI Key: | KMCSANCKJPCCDA-UHFFFAOYSA-N |