N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylthiophene-2-carboxamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S740-0260 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C17 H25 N3 O5 S2 |
| Smiles: | Cc1ccsc1C(N[C@H]1C[C@H]2C(N(CCCOC)S(CCN2C1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0452 |
| logD: | -0.0453 |
| logSw: | -2.1731 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.574 |
| InChI Key: | LPGZOQJKHIUTDR-ZIAGYGMSSA-N |