2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5883 |
| Compound Name: | 2-[(N-cyclopropyl-3-methylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C27 H37 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(CC(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 4.5692 |
| logSw: | -4.3818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.344 |
| InChI Key: | NCRKVGMTKAGVJE-UHFFFAOYSA-N |