6-chloro-3-(4-methyl-1,4-diazepane-1-carbonyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-(4-methyl-1,4-diazepane-1-carbonyl)-2H-1-benzopyran-2-one
6-chloro-3-(4-methyl-1,4-diazepane-1-carbonyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y200-6486 |
| Compound Name: | 6-chloro-3-(4-methyl-1,4-diazepane-1-carbonyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 Cl N2 O3 |
| Smiles: | CN1CCCN(CC1)C(C1=Cc2cc(ccc2OC1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7318 |
| logD: | 0.2308 |
| logSw: | -2.7226 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.616 |
| InChI Key: | YVIIQUHZDPCBNJ-UHFFFAOYSA-N |