N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C798-1002 |
| Compound Name: | N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 494.68 |
| Molecular Formula: | C26 H30 N4 O2 S2 |
| Smiles: | CCC(C)N(CCNC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O)Cc1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0939 |
| logD: | 3.1522 |
| logSw: | -4.0465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.945 |
| InChI Key: | CGJDPLAORQCNBU-IBGZPJMESA-N |