N-[(3-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-[(3-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0288 |
| Compound Name: | N-[(3-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | Cc1cccc(CNS(c2ccc3c(c2)c(C(N2CCCC2)=O)no3)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4835 |
| logD: | 3.4832 |
| logSw: | -3.8486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.21 |
| InChI Key: | XDUUFSMTFBWDKW-UHFFFAOYSA-N |