4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G373-2497 |
| Compound Name: | 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C21 H23 Cl N4 O3 |
| Smiles: | COc1ccccc1NC(N1CCCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.83 |
| logD: | 3.6064 |
| logSw: | -4.2082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.259 |
| InChI Key: | YCDFLOPOALEFAE-UHFFFAOYSA-N |