N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0052 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7248 |
| logD: | 1.7248 |
| logSw: | -2.6169 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.307 |
| InChI Key: | VVSXACFAEXGGHL-UHFFFAOYSA-N |