2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-9209 |
| Compound Name: | 2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 439.62 |
| Molecular Formula: | C22 H37 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(NC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3832 |
| logD: | 4.3737 |
| logSw: | -4.2726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.871 |
| InChI Key: | CCDOXTREJSRHJE-UHFFFAOYSA-N |