N-ethyl-7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0903 |
| Compound Name: | N-ethyl-7-{3-oxo-3-[4-(pentan-3-yl)piperazin-1-yl]propyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C24 H38 N4 O3 |
| Smiles: | CCC(CC)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(NCC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8155 |
| logD: | 2.2427 |
| logSw: | -3.2247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.025 |
| InChI Key: | NVWHHXQQKJEKNG-UHFFFAOYSA-N |