propan-2-yl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6048-0158 |
| Compound Name: | propan-2-yl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C26 H25 N O4 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(C1c2ccccc2Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8705 |
| logD: | -0.6001 |
| logSw: | -5.5849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.291 |
| InChI Key: | LXHBQUNDQUMPMG-UHFFFAOYSA-N |