2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4727 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)-2-methylpropanamido]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(CC2CC2)C(C(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4094 |
| logD: | 4.3986 |
| logSw: | -4.2479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.819 |
| InChI Key: | KHMRCIVLFJMFDX-UHFFFAOYSA-N |