methyl 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7897 |
| Compound Name: | methyl 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | Cc1c(CN2CCOCC2)cc(C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7386 |
| logD: | 1.0263 |
| logSw: | -2.0981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.379 |
| InChI Key: | NDQKTKCDTSCYSB-GOSISDBHSA-N |