5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0053 |
| Compound Name: | 5-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C24 H33 N3 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4266 |
| logD: | 3.4265 |
| logSw: | -3.8491 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.907 |
| InChI Key: | CRKSJDOSCQGASY-KRWDZBQOSA-N |