2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4507 |
| Compound Name: | 2-amino-9-methyl-4-sulfanyl-3,9-diazaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile |
| Molecular Weight: | 261.35 |
| Molecular Formula: | C12 H15 N5 S |
| Smiles: | CN1CCC2(CC1)C(C#N)=C(N)NC(=C2C#N)S |
| Stereo: | ACHIRAL |
| logP: | -0.283 |
| logD: | -2.5545 |
| logSw: | -0.5608 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 69.892 |
| InChI Key: | BENOMNTXNYSUQX-UHFFFAOYSA-N |