2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-7591 |
| Compound Name: | 2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C23 H28 Cl N3 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(C1CC1)C(NC(C)(C)C)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3537 |
| logD: | 4.3535 |
| logSw: | -4.5404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.102 |
| InChI Key: | PEUCQPPQOCCSSA-UHFFFAOYSA-N |