1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(4-methoxyphenyl)propan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | T599-3586 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | COc1ccc(CCC(N2CCCN(c3ccccc23)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7427 |
| logD: | 2.7427 |
| logSw: | -3.3048 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.894 |
| InChI Key: | GUETZIASLOCEGV-UHFFFAOYSA-N |