2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V003-3215 |
| Compound Name: | 2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 402.94 |
| Molecular Formula: | C18 H27 Cl N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC1CC1)C(NC(C)(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1549 |
| logD: | 4.1549 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.135 |
| InChI Key: | YUMMWRRAARDHGR-UHFFFAOYSA-N |