N-(2-bromophenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(2-bromophenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
N-(2-bromophenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0307 |
| Compound Name: | N-(2-bromophenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 428.28 |
| Molecular Formula: | C20 H18 Br N3 O3 |
| Smiles: | C1CCN(C1)C1=C(C(=O)Oc2ccccc12)NC(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0841 |
| logD: | 3.9955 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.701 |
| InChI Key: | YQRUHLKVNLKAAY-UHFFFAOYSA-N |