3-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0546 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C20 H20 Cl N3 O4 S |
| Smiles: | COC(CNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7193 |
| logD: | 2.7185 |
| logSw: | -3.6492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.497 |
| InChI Key: | PLOLBATYQMUNHX-UHFFFAOYSA-N |