N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-4-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-4-(propan-2-yl)benzamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-4-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | S740-0720 |
| Compound Name: | N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-4-(propan-2-yl)benzamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C(N[C@H]1C[C@H]2C(N(CCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7125 |
| logD: | 0.7125 |
| logSw: | -2.2341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.556 |
| InChI Key: | KQIPVFXAWGFUNH-QZTJIDSGSA-N |