N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3575 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C13 H13 N5 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1c(c[nH]n1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 0.6603 |
| logD: | -2.7251 |
| logSw: | -2.1686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.646 |
| InChI Key: | XVPBDJIQUVIOSR-UHFFFAOYSA-N |