methyl 3-[di(prop-2-en-1-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[di(prop-2-en-1-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[di(prop-2-en-1-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0043 |
| Compound Name: | methyl 3-[di(prop-2-en-1-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C15 H16 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N(CC=C)CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4491 |
| logD: | 2.4491 |
| logSw: | -2.4849 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.233 |
| InChI Key: | IUXVGNTXGVCYGS-UHFFFAOYSA-N |