3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0413 |
| Compound Name: | 3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7762 |
| logD: | 2.7761 |
| logSw: | -3.4374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.257 |
| InChI Key: | JPOPJNWRHDKBET-UHFFFAOYSA-N |