7-(ethylcarbamamido)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(ethylcarbamamido)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(ethylcarbamamido)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S555-1041 |
| Compound Name: | 7-(ethylcarbamamido)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(NCCc2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0176 |
| logD: | 3.0176 |
| logSw: | -3.411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.338 |
| InChI Key: | XELIAEVUCJNFTD-UHFFFAOYSA-N |