N-[4-(propan-2-yl)phenyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[4-(propan-2-yl)phenyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[4-(propan-2-yl)phenyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0095 |
| Compound Name: | N-[4-(propan-2-yl)phenyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4497 |
| logD: | 3.4497 |
| logSw: | -3.8995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.869 |
| InChI Key: | DDWAIWGOFUZWEQ-UHFFFAOYSA-N |