N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y508-7662 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1ccc(COc3ccccc3[N+]([O-])=O)o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8285 |
| logD: | 1.8476 |
| logSw: | -3.6658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.34 |
| InChI Key: | JLTMHBRAMBTFEE-UHFFFAOYSA-N |