5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1981 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C26 H34 N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CC2)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9918 |
| logD: | 3.9916 |
| logSw: | -4.2313 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.186 |
| InChI Key: | KVOMMYDCDHCPIR-UHFFFAOYSA-N |