3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2539 |
| Compound Name: | 3-[4-(2,3-dihydro-1H-indene-5-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3103 |
| logD: | 4.3103 |
| logSw: | -4.2949 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.667 |
| InChI Key: | OXKLLWKXESLKFC-UHFFFAOYSA-N |