ethyl 2-{2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4386-4691 |
| Compound Name: | ethyl 2-{2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 588.81 |
| Molecular Formula: | C28 H36 N4 O4 S3 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CSc1nc(c2c3CC(C)(C)OCc3sc2n1)N)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7331 |
| logD: | 4.7085 |
| logSw: | -5.9463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.297 |
| InChI Key: | WZERVCOMXZDJJO-CQSZACIVSA-N |