2-(3-chloro-4-methoxyphenyl)-1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chloro-4-methoxyphenyl)-1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
2-(3-chloro-4-methoxyphenyl)-1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T599-3883 |
| Compound Name: | 2-(3-chloro-4-methoxyphenyl)-1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | COc1ccc(CC(N2CCCN(C(C3CC3)=O)c3ccccc23)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9209 |
| logD: | 3.9209 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.901 |
| InChI Key: | JQDYCMBWVDURAJ-UHFFFAOYSA-N |