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 |