N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)adamantane-1-carboxamide
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V015-1314 |
| Compound Name: | N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)adamantane-1-carboxamide |
| Molecular Weight: | 612.65 |
| Molecular Formula: | C33 H46 Br N3 O3 |
| Smiles: | CCCCN(Cc1cccn1Cc1ccc(cc1)[Br])C(CN(CCCOC)C(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1939 |
| logD: | 7.1939 |
| logSw: | -5.625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.808 |
| InChI Key: | LWCSPJWSGLFFJV-UHFFFAOYSA-N |