N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-3-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-3-carboxamide
N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | S740-0629 |
| Compound Name: | N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]thiophene-3-carboxamide |
| Molecular Weight: | 385.5 |
| Molecular Formula: | C16 H23 N3 O4 S2 |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccsc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4953 |
| logD: | 0.4952 |
| logSw: | -2.2668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.253 |
| InChI Key: | BWWWKBWHTALKHY-ZIAGYGMSSA-N |