N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0520 |
| Compound Name: | N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | COC(CNC(c1ccc2C(N(Cc3ccccc3OC)C(Nc2c1)=S)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0766 |
| logD: | 2.0758 |
| logSw: | -3.1496 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.128 |
| InChI Key: | ZXZOUQPOITXANE-UHFFFAOYSA-N |