N-cyclopentyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0550 |
| Compound Name: | N-cyclopentyl-1-(2-{[(4-methylphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | Cc1ccc(CNC(NCCn2c3ccc(cc3nn2)C(NC2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3776 |
| logD: | 2.3776 |
| logSw: | -2.8722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.208 |
| InChI Key: | MJTLXQYRWGKLDQ-UHFFFAOYSA-N |