N-(3-chloro-2-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-chloro-2-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-3661 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C21 H23 Cl N6 O2 |
| Smiles: | Cc1c(cccc1[Cl])NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6803 |
| logD: | 2.6803 |
| logSw: | -3.6227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.698 |
| InChI Key: | IXGQETXWMWLHJG-UHFFFAOYSA-N |