4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-{3-[(propan-2-yl)oxy]propyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-{3-[(propan-2-yl)oxy]propyl}cyclohexane-1-carboxamide
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-{3-[(propan-2-yl)oxy]propyl}cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | K906-4430 |
Compound Name: | 4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-{3-[(propan-2-yl)oxy]propyl}cyclohexane-1-carboxamide |
Molecular Weight: | 495.64 |
Molecular Formula: | C24 H37 N3 O6 S |
Smiles: | CC(C)OCCCNC(C1CCC(CC1)CNS(c1ccc2c(c1)N(CCO2)C(C)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4875 |
logD: | 2.4875 |
logSw: | -2.9611 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 97.92 |
InChI Key: | PXULQONXRRACDC-UHFFFAOYSA-N |