N-[2-(azepan-1-yl)ethyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[2-(azepan-1-yl)ethyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0133 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C21 H32 N6 O3 S |
| Smiles: | C1CCCN(CC1)CCNC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3281 |
| logD: | -0.3707 |
| logSw: | -2.4305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.346 |
| InChI Key: | XRCFEADDJMUYKC-UHFFFAOYSA-N |