N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0060856 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | C1CCC(CC1)N1C(c2ccc(cc2NC1=S)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8163 |
| logD: | 4.8153 |
| logSw: | -4.9696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.953 |
| InChI Key: | MRTQYOJSJXWYHE-UHFFFAOYSA-N |