methyl 3-{[3-(diethylamino)propyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[3-(diethylamino)propyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[3-(diethylamino)propyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0040 |
| Compound Name: | methyl 3-{[3-(diethylamino)propyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C16 H23 N3 O5 |
| Smiles: | CCN(CC)CCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1424 |
| logD: | -0.5786 |
| logSw: | -2.5408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.731 |
| InChI Key: | CWERWBCGVHHEFV-UHFFFAOYSA-N |