N-benzyl-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]acetamide
N-benzyl-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K297-0460 |
| Compound Name: | N-benzyl-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCC(NCc2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5535 |
| logD: | 4.5528 |
| logSw: | -4.4464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.423 |
| InChI Key: | BOPFBSCRPZUEAS-UHFFFAOYSA-N |