2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3955 |
| Compound Name: | 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 566.08 |
| Molecular Formula: | C29 H28 Cl N3 O5 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3cc(ccc3C(N2Cc2ccc(cc2)[Cl])=O)C(NCCOC)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3534 |
| logD: | 4.3534 |
| logSw: | -4.6204 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.097 |
| InChI Key: | HQJBVDRULLVIQD-UHFFFAOYSA-N |