2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5125 |
| Compound Name: | 2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9761 |
| logD: | 3.9759 |
| logSw: | -3.9894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.276 |
| InChI Key: | MDULVSHFLOUIRJ-KRWDZBQOSA-N |