3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1593 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 450 |
| Molecular Formula: | C23 H28 Cl N O4 S |
| Smiles: | CC(C)CC(N(CC1CC1)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1562 |
| logD: | 5.1562 |
| logSw: | -5.618 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.207 |
| InChI Key: | RKBHJOUDKYGEGP-UHFFFAOYSA-N |