N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0683 |
| Compound Name: | N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 444.33 |
| Molecular Formula: | C20 H22 Br N5 O2 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCCC(Nc1ccc(c(C)c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1495 |
| logD: | 3.1494 |
| logSw: | -3.1395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.319 |
| InChI Key: | NVPBCGGXMQGNPE-UHFFFAOYSA-N |