N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V027-9701 |
| Compound Name: | N-({1-[(3-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C24 H26 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CCCOC)Cc1cccn1Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6985 |
| logD: | 4.6985 |
| logSw: | -4.9076 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.921 |
| InChI Key: | OUCHBCHZOIOONR-UHFFFAOYSA-N |