2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-5885 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C27 H38 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(NC(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3937 |
| logD: | 4.3829 |
| logSw: | -4.2448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.936 |
| InChI Key: | VWVSOCRZTQTAJR-UHFFFAOYSA-N |