3-butyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | D364-2007 |
Compound Name: | 3-butyl-6-hydroxy-5-{2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1,5-benzothiazepin-4-yl}pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 463.6 |
Molecular Formula: | C26 H29 N3 O3 S |
Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)C(C)C)Sc2ccccc2N=1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4558 |
logD: | -0.7487 |
logSw: | -5.1659 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.521 |
InChI Key: | QNFJUOFRYXVTCX-QFIPXVFZSA-N |