N-[(3-methylphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[(3-methylphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0076 |
| Compound Name: | N-[(3-methylphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | Cc1cccc(CNC(CCn2c3ccc(cc3nn2)S(N2CCCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5002 |
| logD: | 2.5002 |
| logSw: | -2.7481 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.191 |
| InChI Key: | XWRMQSYPPOXUTQ-UHFFFAOYSA-N |