2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7506 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CC(C)NC(N(CC1CC1)Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.382 |
| logD: | 4.382 |
| logSw: | -4.283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.482 |
| InChI Key: | XSSDJZJLOIQOHD-UHFFFAOYSA-N |