N-[2-(azepan-1-yl)ethyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)prolinamide
N-[2-(azepan-1-yl)ethyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F857-0229 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(1-propyl-1H-benzotriazole-5-sulfonyl)prolinamide |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C22 H34 N6 O3 S |
| Smiles: | CCCn1c2ccc(cc2nn1)S(N1CCCC1C(NCCN1CCCCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0389 |
| logD: | 0.4704 |
| logSw: | -2.7721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.031 |
| InChI Key: | VRMYUDKBSYBTGL-NRFANRHFSA-N |