1-{2-[(4-bromophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0446 |
| Compound Name: | 1-{2-[(4-bromophenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 445.32 |
| Molecular Formula: | C19 H21 Br N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8161 |
| logD: | 2.8161 |
| logSw: | -3.4984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.04 |
| InChI Key: | JXBADLCGQIVRQD-UHFFFAOYSA-N |