5-[(N-cyclopropyl-3-methylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-[(N-cyclopropyl-3-methylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
5-[(N-cyclopropyl-3-methylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-2889 |
| Compound Name: | 5-[(N-cyclopropyl-3-methylbutanamido)methyl]-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C18 H27 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(C2CC2)C(CC(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7794 |
| logD: | 2.7794 |
| logSw: | -3.2711 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.324 |
| InChI Key: | YKQSJTNNDDKDEX-UHFFFAOYSA-N |