5-{[(cyclopropylmethyl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[(cyclopropylmethyl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[(cyclopropylmethyl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1945 |
| Compound Name: | 5-{[(cyclopropylmethyl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C25 H26 N2 O6 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CC2CC2)C(c2cccs2)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6201 |
| logD: | 3.62 |
| logSw: | -3.8914 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.46 |
| InChI Key: | LXZBBBVUPJHTSB-UHFFFAOYSA-N |