tert-butyl 4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
tert-butyl 4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | G373-2458 |
| Compound Name: | tert-butyl 4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C19 H27 N3 O3 |
| Smiles: | Cc1ccc2c(c1)nc(CN1CCCN(CC1)C(=O)OC(C)(C)C)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.9436 |
| logD: | 3.7906 |
| logSw: | -3.8943 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.939 |
| InChI Key: | JYMBAVHIFDGLOH-UHFFFAOYSA-N |