N-[3-(3-bromoanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(3-bromoanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[3-(3-bromoanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0692 |
| Compound Name: | N-[3-(3-bromoanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C19 H20 Br N5 O2 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCCC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.783 |
| logD: | 2.7827 |
| logSw: | -3.2653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.319 |
| InChI Key: | PMKCEQAGAXRBCQ-UHFFFAOYSA-N |