4-amino-5-(2H-1,3-benzodioxole-5-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile
Chemical Structure Depiction of
4-amino-5-(2H-1,3-benzodioxole-5-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile
4-amino-5-(2H-1,3-benzodioxole-5-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-0250 |
| Compound Name: | 4-amino-5-(2H-1,3-benzodioxole-5-carbonyl)-2-[(propan-2-yl)amino]thiophene-3-carbonitrile |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C16 H15 N3 O3 S |
| Smiles: | CC(C)Nc1c(C#N)c(c(C(c2ccc3c(c2)OCO3)=O)s1)N |
| Stereo: | ACHIRAL |
| logP: | 3.111 |
| logD: | 3.111 |
| logSw: | -3.5034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.538 |
| InChI Key: | VSVKXGFFYDIDDG-UHFFFAOYSA-N |