2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4775 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 543.73 |
| Molecular Formula: | C29 H41 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2854 |
| logD: | 5.2746 |
| logSw: | -5.3126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.291 |
| InChI Key: | CGMZKWKXOSBCKG-UHFFFAOYSA-N |