6-chloro-3-{2-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-chloro-3-{2-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
6-chloro-3-{2-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S858-6010 |
| Compound Name: | 6-chloro-3-{2-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C18 H22 Cl N3 O6 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.7288 |
| logD: | 0.7288 |
| logSw: | -2.3517 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.944 |
| InChI Key: | DRHJJSLJWZTGBN-KZULUSFZSA-N |