N,N-bis(2-cyanoethyl)-2-methoxy-4-(methylsulfanyl)benzamide
Chemical Structure Depiction of
N,N-bis(2-cyanoethyl)-2-methoxy-4-(methylsulfanyl)benzamide
N,N-bis(2-cyanoethyl)-2-methoxy-4-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | Y030-9679 |
| Compound Name: | N,N-bis(2-cyanoethyl)-2-methoxy-4-(methylsulfanyl)benzamide |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C15 H17 N3 O2 S |
| Smiles: | COc1cc(ccc1C(N(CCC#N)CCC#N)=O)SC |
| Stereo: | ACHIRAL |
| logP: | 1.0161 |
| logD: | 1.0161 |
| logSw: | -2.3967 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.292 |
| InChI Key: | APOFONDKBBKOHZ-UHFFFAOYSA-N |