3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0435 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C20 H21 Cl N4 O2 S |
| Smiles: | CN(C)CCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0064 |
| logD: | 2.1672 |
| logSw: | -3.7197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.71 |
| InChI Key: | NIJFRYNRMDOHQG-UHFFFAOYSA-N |