1-(4-bromophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0495 |
| Compound Name: | 1-(4-bromophenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 538.46 |
| Molecular Formula: | C26 H24 Br N3 O3 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCC(c2ccc(cc2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.8333 |
| logD: | 5.833 |
| logSw: | -5.8018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.199 |
| InChI Key: | CLZJMRXXGVYDMJ-UHFFFAOYSA-N |