N-benzyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0533 |
| Compound Name: | N-benzyl-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.028 |
| logD: | 4.0271 |
| logSw: | -4.2549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.362 |
| InChI Key: | ZAHJFKGJCGLLNX-UHFFFAOYSA-N |