N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-4-tert-butyl-N-(3-methoxypropyl)benzamide
Chemical Structure Depiction of
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-4-tert-butyl-N-(3-methoxypropyl)benzamide
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-4-tert-butyl-N-(3-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | V011-4684 |
| Compound Name: | N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-4-tert-butyl-N-(3-methoxypropyl)benzamide |
| Molecular Weight: | 636.67 |
| Molecular Formula: | C35 H46 Br N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N(CCCOC)CC(N(Cc1cccn1Cc1ccc(cc1)[Br])C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5987 |
| logD: | 7.5987 |
| logSw: | -5.5931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.769 |
| InChI Key: | SMTNSODTJZZATN-UHFFFAOYSA-N |