N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-beta-alaninamide
N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C697-1004 |
| Compound Name: | N~3~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | Cc1ccc(CCNC(CCNS(c2ccc3c(c2)OC(N3C)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6549 |
| logD: | 1.6548 |
| logSw: | -2.6424 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.017 |
| InChI Key: | VCMOUKRNRJUVOH-UHFFFAOYSA-N |