ethyl 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-1109 |
| Compound Name: | ethyl 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)OC=1N)c1cc(CSc2nnnn2C)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4029 |
| logD: | 2.4029 |
| logSw: | -2.4831 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.39 |
| InChI Key: | OJPXXNBBEROJGM-MRXNPFEDSA-N |