2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl methanesulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl methanesulfonate
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl methanesulfonate
Compound characteristics
| Compound ID: | V027-0006 |
| Compound Name: | 2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl methanesulfonate |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C18 H23 Cl N2 O5 S |
| Smiles: | CC(C)(C)NC(N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7749 |
| logD: | 3.7749 |
| logSw: | -4.1746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.4 |
| InChI Key: | SRVUUFMFQVOCQF-UHFFFAOYSA-N |