HIT ID: HIT212729385
Cas No: 176767-94-5
分子式: C45H45N3O20S
分子量: 979.92
常用名: BTC AM
氢键受体数 (HBA): 14
氢键供体数 (HBD): 0
LogP: 4.1251125
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{[3-(1,3-benzothiazol-2-yl)-7-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-2-oxo-2H-chromen-6-yl]oxy}ethoxy)-4-methylphenyl]amino)acetate
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{[3-(1,3-benzothiazol-2-yl)-7-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-2-oxo-2H-chromen-6-yl]oxy}ethoxy)-4-methylphenyl]amino)acetate
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc2cc(-c3nc4ccccc4s3)c(=O)oc2cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc2cc(-c3nc4ccccc4s3)c(=O)oc2cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
InChI key: JHWYIECNPLLVMW-UHFFFAOYSA-N
