N-(2-bromophenyl)-N'-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(2-bromophenyl)-N'-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(2-bromophenyl)-N'-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0232 |
| Compound Name: | N-(2-bromophenyl)-N'-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 456.34 |
| Molecular Formula: | C22 H22 Br N3 O3 |
| Smiles: | C1CCC(CC1)NC1=C(C(=O)Oc2ccccc12)NC(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7595 |
| logD: | 4.7322 |
| logSw: | -4.8126 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.123 |
| InChI Key: | ZNUWSRNLWAPYPU-UHFFFAOYSA-N |