2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6363 |
| Compound Name: | 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | Cc1c(CN2CCOCC2)cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6495 |
| logD: | 0.9373 |
| logSw: | -2.0645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.262 |
| InChI Key: | NFTNFNRPSMKDRJ-SFHVURJKSA-N |