ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V007-8397 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 581.5 |
| Molecular Formula: | C29 H30 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(cnn1c1ccccc1)C(N1CCCN(CC1)c1c(C(=O)OCC)nc2cc(c(cc2n1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5978 |
| logD: | 6.5978 |
| logSw: | -6.1628 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.443 |
| InChI Key: | CXLKETKXZHOGJM-UHFFFAOYSA-N |