3-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1558 |
| Compound Name: | 3-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 465.01 |
| Molecular Formula: | C23 H29 Cl N2 O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(NC(C)(C)C)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2279 |
| logD: | 5.2279 |
| logSw: | -5.7389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.701 |
| InChI Key: | YNSZQVAZWPCTLF-UHFFFAOYSA-N |