N-benzyl-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061164 |
| Compound Name: | N-benzyl-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(Cc3ccc(cc3)OC)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1975 |
| logD: | 4.1973 |
| logSw: | -4.3473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.012 |
| InChI Key: | JPZNJGLZTYXKCA-UHFFFAOYSA-N |