N-(cyclopropylmethyl)-3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N-(cyclopropylmethyl)-3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-2115 |
| Compound Name: | N-(cyclopropylmethyl)-3-{4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | Cc1c(CN2CCOc3ccc(CCC(NCC4CC4)=O)cc3C2)scn1 |
| Stereo: | ACHIRAL |
| logP: | 2.817 |
| logD: | 1.7453 |
| logSw: | -3.2996 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.843 |
| InChI Key: | OQKIJNSEPLJOGJ-UHFFFAOYSA-N |