2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1125 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C26 H36 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CC1CC1)Cc1ccc(cc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8018 |
| logD: | 3.791 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.588 |
| InChI Key: | AROAJENLTSBWRK-UHFFFAOYSA-N |