methyl 2-[2-({3-[(4-{[(2-chlorophenyl)methyl]carbamoyl}cyclohexyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[(4-{[(2-chlorophenyl)methyl]carbamoyl}cyclohexyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[(4-{[(2-chlorophenyl)methyl]carbamoyl}cyclohexyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K284-4609 |
| Compound Name: | methyl 2-[2-({3-[(4-{[(2-chlorophenyl)methyl]carbamoyl}cyclohexyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 633.17 |
| Molecular Formula: | C33 H33 Cl N4 O5 S |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1[Cl])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4272 |
| logD: | 5.4189 |
| logSw: | -5.7831 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.002 |
| InChI Key: | GMIHNACQTOKMHJ-UHFFFAOYSA-N |