N-[2-(4-cyanoanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-cyanoanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
N-[2-(4-cyanoanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-1307 |
| Compound Name: | N-[2-(4-cyanoanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | CN(CC(Nc1ccc(C#N)cc1)=O)C(c1ccc2c(c1)nnn2C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2672 |
| logD: | 2.2668 |
| logSw: | -2.9862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.356 |
| InChI Key: | MKGJPQBSGKVDPX-UHFFFAOYSA-N |