5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1969 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C25 H32 N2 O6 S |
| Smiles: | CC(C)CC(N(CC1CC1)Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4761 |
| logD: | 3.476 |
| logSw: | -3.9129 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.186 |
| InChI Key: | WXBYXZNTPAKKIO-UHFFFAOYSA-N |