2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5809 |
| Compound Name: | 2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2658 |
| logD: | 4.2658 |
| logSw: | -4.225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.21 |
| InChI Key: | RHIQTLMPAUIMGA-INIZCTEOSA-N |