2-(3-chloro-4-methoxyphenyl)-1-[5-(methanesulfonyl)-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-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
2-(3-chloro-4-methoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T599-3833 |
| Compound Name: | 2-(3-chloro-4-methoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C19 H21 Cl N2 O4 S |
| Smiles: | COc1ccc(CC(N2CCCN(c3ccccc23)S(C)(=O)=O)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8001 |
| logD: | 2.8001 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.981 |
| InChI Key: | IIMYLGRJGQEQDK-UHFFFAOYSA-N |