1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide
Compound characteristics
Compound ID: | E557-2394 |
Compound Name: | 1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]piperidine-4-carboxamide |
Molecular Weight: | 485.6 |
Molecular Formula: | C25 H31 N3 O5 S |
Smiles: | CC(C)c1ccc(cc1)NC(C1CCN(CC1)S(c1ccc2c(c1)N(CCO2)C(C)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5055 |
logD: | 3.5055 |
logSw: | -3.778 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.044 |
InChI Key: | QNODPFRTDWFOPZ-UHFFFAOYSA-N |