5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1957 |
| Compound Name: | 5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 543.04 |
| Molecular Formula: | C27 H27 Cl N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CC2)C(c2ccccc2[Cl])=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8976 |
| logD: | 3.8975 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.442 |
| InChI Key: | HZIRNEFBVIEADB-UHFFFAOYSA-N |