tert-butyl 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
tert-butyl 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | G373-2485 |
| Compound Name: | tert-butyl 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 365.86 |
| Molecular Formula: | C18 H24 Cl N3 O3 |
| Smiles: | CC(C)(C)OC(N1CCCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1636 |
| logD: | 4.0106 |
| logSw: | -4.4048 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.939 |
| InChI Key: | AQVKJSCPDBVLAM-UHFFFAOYSA-N |