5-(2H-1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-1252 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(c3cc(c4ccc5c(c4)OCO5)on3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0664 |
| logD: | 2.6369 |
| logSw: | -3.5775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.754 |
| InChI Key: | QKMDHRQTVQIFFH-SNVBAGLBSA-N |