7-(3-{[2-(diethylamino)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{[2-(diethylamino)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[2-(diethylamino)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
Compound ID: | S629-0545 |
Compound Name: | 7-(3-{[2-(diethylamino)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
Molecular Weight: | 404.55 |
Molecular Formula: | C22 H36 N4 O3 |
Smiles: | CCN(CC)CCNC(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
Stereo: | ACHIRAL |
logP: | 2.3909 |
logD: | 0.544 |
logSw: | -2.8694 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.944 |
InChI Key: | RUUBACXFULOJNB-UHFFFAOYSA-N |