2-{[acetyl(cyclopropylmethyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(cyclopropylmethyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[acetyl(cyclopropylmethyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3597 |
| Compound Name: | 2-{[acetyl(cyclopropylmethyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CC1)C(C)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.262 |
| logD: | 3.2618 |
| logSw: | -3.7283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.551 |
| InChI Key: | RUJWRGDSPAJUNT-UHFFFAOYSA-N |