5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1977 |
| Compound Name: | 5-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C19 H29 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CC2)C(CC(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0178 |
| logD: | 3.0178 |
| logSw: | -3.377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.271 |
| InChI Key: | OXMCYILGDIXDCB-UHFFFAOYSA-N |