7-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxopropyl}-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxopropyl}-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxopropyl}-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0472 |
| Compound Name: | 7-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxopropyl}-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | CCNC(N1CCOc2ccc(CCC(NC3CCS(C3)(=O)=O)=O)cc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4435 |
| logD: | 0.4435 |
| logSw: | -2.4715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.234 |
| InChI Key: | ULVYESYDTDWQLO-MRXNPFEDSA-N |