N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-4544 |
| Compound Name: | N-{6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 523.39 |
| Molecular Formula: | C25 H23 Br N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(c1ccc2c(c1)OCO2)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6264 |
| logD: | 4.6262 |
| logSw: | -4.432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.286 |
| InChI Key: | CFQYIQITQJJBAF-UHFFFAOYSA-N |