N-(3-fluoro-4-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-fluoro-4-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-3665 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H23 F N6 O2 |
| Smiles: | Cc1ccc(cc1F)NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5218 |
| logD: | 2.5218 |
| logSw: | -2.9535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.395 |
| InChI Key: | XUZQQLREDPVAGB-UHFFFAOYSA-N |