N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0729 |
| Compound Name: | N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C19 H20 Br N5 O2 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NC(C)C(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2234 |
| logD: | 3.2232 |
| logSw: | -3.4714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.854 |
| InChI Key: | GIXRJZXVRRKDGX-LBPRGKRZSA-N |