N-butyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-butyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-butyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-1004 |
| Compound Name: | N-butyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C21 H31 N3 O4 S2 |
| Smiles: | CCCCNC(CN1C(CC(C)Sc2ccc(cc12)S(N1CCCCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1208 |
| logD: | 3.1208 |
| logSw: | -3.4744 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.245 |
| InChI Key: | YRLVPGOWVFLJRV-MRXNPFEDSA-N |