3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9019 |
| Compound Name: | 3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C22 H23 N O5 S2 |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5235 |
| logD: | 4.5235 |
| logSw: | -4.4371 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.517 |
| InChI Key: | VDUNBPCHEFUBFM-UHFFFAOYSA-N |