methyl 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
methyl 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3379-2322 |
| Compound Name: | methyl 3-{2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}benzoate |
| Molecular Weight: | 514.29 |
| Molecular Formula: | C22 H16 Br N3 O7 |
| Smiles: | COC(c1cccc(c1)NC(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1ccc(o1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4922 |
| logD: | 3.4215 |
| logSw: | -4.4862 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.735 |
| InChI Key: | BQCZEGUEHFIDFL-UHFFFAOYSA-N |