N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0060875 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1669 |
| logD: | 5.1643 |
| logSw: | -5.3819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.981 |
| InChI Key: | HLCMUPQFCPJNMV-UHFFFAOYSA-N |