N-benzyl-3-(3-chloro-4-fluorophenyl)-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-(3-chloro-4-fluorophenyl)-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-(3-chloro-4-fluorophenyl)-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061004 |
| Compound Name: | N-benzyl-3-(3-chloro-4-fluorophenyl)-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2186 |
| logD: | 4.1962 |
| logSw: | -4.5239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.857 |
| InChI Key: | RYSJXVQEMCEXDC-UHFFFAOYSA-N |