2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8015-8998 |
| Compound Name: | 2-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C16 H19 N5 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CCCn1cc(cn1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 0.0355 |
| logD: | -0.7652 |
| logSw: | -1.9913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.027 |
| InChI Key: | CTBKVJQXXGUOOE-UHFFFAOYSA-N |