N-[(3-methoxyphenyl)methyl]-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
N-[(3-methoxyphenyl)methyl]-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G017-0328 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-4-{[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C26 H33 N3 O5 S |
| Smiles: | COc1cccc(CNC(C2CCC(CC2)CNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1451 |
| logD: | 3.145 |
| logSw: | -3.5419 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.298 |
| InChI Key: | RJZMCDSRYMOSEH-UHFFFAOYSA-N |