7-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0552 |
| Compound Name: | 7-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(Nc3cc(C)ccc3OC)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4702 |
| logD: | 3.47 |
| logSw: | -3.5235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.03 |
| InChI Key: | AQPKQDLRQCMRKE-UHFFFAOYSA-N |