N-(2-cyanoethyl)-N-({5-[(1-cyclopentyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-({5-[(1-cyclopentyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide
N-(2-cyanoethyl)-N-({5-[(1-cyclopentyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | 8015-7979 |
| Compound Name: | N-(2-cyanoethyl)-N-({5-[(1-cyclopentyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C19 H22 N4 O6 S |
| Smiles: | CS(N(CCC#N)Cc1ccc(/C=C2/C(NC(N(C3CCCC3)C2=O)=O)=O)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0352 |
| logD: | 1.005 |
| logSw: | -2.2825 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.211 |
| InChI Key: | HUFQRNYOZKCNCH-UHFFFAOYSA-N |