methyl 3-{[3-(dimethylamino)propyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[3-(dimethylamino)propyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[3-(dimethylamino)propyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | 2616-2043 |
| Compound Name: | methyl 3-{[3-(dimethylamino)propyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 309.32 |
| Molecular Formula: | C14 H19 N3 O5 |
| Smiles: | CN(C)CCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1451 |
| logD: | -1.269 |
| logSw: | -2.0703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.186 |
| InChI Key: | SYIYJYHSGLCBKZ-UHFFFAOYSA-N |