N-(3-chloro-4-methylphenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
N-(3-chloro-4-methylphenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0283 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-[2-oxo-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(NC1=C(c2ccccc2OC1=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2106 |
| logD: | 5.1153 |
| logSw: | -5.4328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.399 |
| InChI Key: | KMHIEWIECPOIEN-UHFFFAOYSA-N |