N-cyclopentyl-1-[2-(phenylcarbamamido)ethyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-[2-(phenylcarbamamido)ethyl]-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-[2-(phenylcarbamamido)ethyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0504 |
| Compound Name: | N-cyclopentyl-1-[2-(phenylcarbamamido)ethyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5138 |
| logD: | 2.5138 |
| logSw: | -3.0721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.886 |
| InChI Key: | IUBDQJPQENUNIU-UHFFFAOYSA-N |