2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-5873 |
| Compound Name: | 2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 544.71 |
| Molecular Formula: | C28 H40 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(NC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8415 |
| logD: | 4.8307 |
| logSw: | -4.6506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.786 |
| InChI Key: | ARHQGFNNEONRES-UHFFFAOYSA-N |