N-[(3,4-dimethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-[(3,4-dimethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0290 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | COc1ccc(CNS(c2ccc3c(c2)c(C(N2CCCC2)=O)no3)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4099 |
| logD: | 2.4098 |
| logSw: | -2.9433 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.471 |
| InChI Key: | VNDASFNFIGYLKA-UHFFFAOYSA-N |