5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2002 |
| Compound Name: | 5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C22 H29 N3 O6 S |
| Smiles: | CCNC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4711 |
| logD: | 2.471 |
| logSw: | -2.9915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.974 |
| InChI Key: | KEIUDSDHJKIEHB-UHFFFAOYSA-N |