2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-(3-methoxybenzamido)benzamide
Chemical Structure Depiction of
2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-(3-methoxybenzamido)benzamide
2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-(3-methoxybenzamido)benzamide
Compound characteristics
| Compound ID: | V013-0241 |
| Compound Name: | 2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-(3-methoxybenzamido)benzamide |
| Molecular Weight: | 563.1 |
| Molecular Formula: | C31 H35 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O)NC(c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7465 |
| logD: | 4.7465 |
| logSw: | -4.8376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.744 |
| InChI Key: | DXNLEMIZIGEPJF-UHFFFAOYSA-N |