N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopentanecarboxamide
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]cyclopentanecarboxamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | S740-1307 |
| 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]cyclopentanecarboxamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C17 H29 N3 O5 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(C1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.4918 |
| logD: | -0.492 |
| logSw: | -1.5017 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.114 |
| InChI Key: | HWRQPDCVSBILQX-HUUCEWRRSA-N |