5-chloro-N,N-bis(cyanomethyl)-2-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N,N-bis(cyanomethyl)-2-methoxybenzamide
5-chloro-N,N-bis(cyanomethyl)-2-methoxybenzamide
Compound characteristics
Compound ID: | Y030-3908 |
Compound Name: | 5-chloro-N,N-bis(cyanomethyl)-2-methoxybenzamide |
Molecular Weight: | 263.68 |
Molecular Formula: | C12 H10 Cl N3 O2 |
Smiles: | COc1ccc(cc1C(N(CC#N)CC#N)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 1.0677 |
logD: | 1.0677 |
logSw: | -2.6736 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 59.292 |
InChI Key: | KBDSXNUVJVNZBA-UHFFFAOYSA-N |