N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea
Compound characteristics
| Compound ID: | 3805-1049 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-nitrophenyl)thiourea |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(Nc1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.994 |
| logD: | 2.994 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.88 |
| InChI Key: | SOIBHBRVWFIHKC-UHFFFAOYSA-N |