N-(4-bromo-3-methylphenyl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(4-bromo-3-methylphenyl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0401 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 456.34 |
| Molecular Formula: | C22 H22 Br N3 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(NC1=C(c2ccccc2OC1=O)NC1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.215 |
| logD: | 5.214 |
| logSw: | -5.1252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.187 |
| InChI Key: | ZDRHWFALGNXYDB-UHFFFAOYSA-N |