2-amino-7,7-dimethyl-4-{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-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8127 |
| Compound Name: | 2-amino-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(CN3CCOCC3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.66 |
| logD: | 0.7661 |
| logSw: | -2.0552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.262 |
| InChI Key: | KFEFGCITSWBFSB-SFHVURJKSA-N |