propan-2-yl 2-[(3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenoxy)sulfonyl]benzoate
Chemical Structure Depiction of
propan-2-yl 2-[(3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenoxy)sulfonyl]benzoate
propan-2-yl 2-[(3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenoxy)sulfonyl]benzoate
Compound characteristics
| Compound ID: | V031-1948 |
| Compound Name: | propan-2-yl 2-[(3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenoxy)sulfonyl]benzoate |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C23 H30 N2 O6 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(c1ccccc1C(=O)OC(C)C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9099 |
| logD: | 3.9099 |
| logSw: | -3.9739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.428 |
| InChI Key: | BBFRVPZPENRXNP-UHFFFAOYSA-N |