N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0340 |
| Compound Name: | N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | CCCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4832 |
| logD: | 4.4823 |
| logSw: | -4.6023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.844 |
| InChI Key: | RZCSOAVVPSRCIH-UHFFFAOYSA-N |