3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061019 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 431.91 |
| Molecular Formula: | C21 H19 Cl F N3 O2 S |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4121 |
| logD: | 4.3056 |
| logSw: | -4.6241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.845 |
| InChI Key: | JFLKUAJDQNFZHL-UHFFFAOYSA-N |