2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-6015 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 375.79 |
| Molecular Formula: | C15 H10 Cl N5 O3 S |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nnnn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5428 |
| logD: | 3.5428 |
| logSw: | -4.148 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.517 |
| InChI Key: | RMUPHSQAYMPSJP-UHFFFAOYSA-N |