1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(2-methoxyphenyl)propan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | T599-3613 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | COc1ccccc1CCC(N1CCCN(c2ccccc12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7483 |
| logD: | 2.7483 |
| logSw: | -3.3072 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.981 |
| InChI Key: | HJBQZAZLQRMYTB-UHFFFAOYSA-N |