N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-(4-methoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-(4-methoxyphenyl)-beta-alaninamide
N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-(4-methoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | V027-0289 |
| Compound Name: | N~3~-benzyl-N~3~-[2-(3-bromophenyl)quinazolin-4-yl]-N-(4-methoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 567.49 |
| Molecular Formula: | C31 H27 Br N4 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(CCN(Cc1ccccc1)c1c2ccccc2nc(c2cccc(c2)[Br])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8152 |
| logD: | 7.212 |
| logSw: | -6.0073 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.601 |
| InChI Key: | CJCBCHRXFCZDIC-UHFFFAOYSA-N |