N-cyclopropyl-3-[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1669 |
| Compound Name: | N-cyclopropyl-3-[4-(isoquinoline-1-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C25 H25 N3 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(c2c3ccccc3ccn2)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0515 |
| logD: | 3.0515 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.634 |
| InChI Key: | FCTLSXLGVDZSME-UHFFFAOYSA-N |