4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3425 |
| Compound Name: | 4-[2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 552.09 |
| Molecular Formula: | C29 H30 Cl N3 O4 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.266 |
| logD: | 3.266 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.323 |
| InChI Key: | UBCLGXIHTBXWNQ-UHFFFAOYSA-N |