7-[(cyclopropanecarbonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(cyclopropanecarbonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(cyclopropanecarbonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S555-1680 |
| Compound Name: | 7-[(cyclopropanecarbonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | C1CC1C(Nc1ccc2c(CN(CCO2)C(Nc2ccc3c(c2)OCCO3)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1567 |
| logD: | 2.1567 |
| logSw: | -3.0251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.089 |
| InChI Key: | PWTMQZOFPIFMLW-UHFFFAOYSA-N |