[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(3-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(3-methoxyphenyl)piperazin-1-yl]methanone
[2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(3-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | S868-0392 |
| Compound Name: | [2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-7-yl][4-(3-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(c1ccc2CN(CCCn12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8756 |
| logD: | 1.8756 |
| logSw: | -2.5658 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.985 |
| InChI Key: | DROUDWBFBBGVBX-UHFFFAOYSA-N |