4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-tert-butyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-tert-butyl-1,4-diazepane-1-carboxamide
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-tert-butyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V028-2266 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-N-tert-butyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C30 H39 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(N1CCCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.388 |
| logD: | 4.3737 |
| logSw: | -4.2368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.271 |
| InChI Key: | RRUIBVVIIJXYQI-UHFFFAOYSA-N |