N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylthiophene-2-carboxamide
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]-5-methylthiophene-2-carboxamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S740-0707 |
| 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]-5-methylthiophene-2-carboxamide |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C16 H23 N3 O5 S2 |
| Smiles: | Cc1ccc(C(N[C@H]2C[C@H]3C(N(CCOC)S(CCN3C2)(=O)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 0.0013 |
| logD: | 0.0013 |
| logSw: | -2.2098 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.574 |
| InChI Key: | ROQCBMZQQTZEGN-CHWSQXEVSA-N |