Name: BDP 581/591 alkyne
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847534
Cas No:2006345-34-0
常用名:BDP 581/591 alkyne
IUPAC:2,2-difluoro-4-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-12-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:2,2-difluoro-4-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-12-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:OLFSHALJABVHGP-JMQWPVDRSA-N

分子式:C25H22BF2N3O
分子量:429.28
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:F[B-]1(F)n2c(\C=C\C=C\c3ccccc3)ccc2C=C2C=CC(CCC(=O)NCC#C)=[N+]12
SMILES:F[B-]1(F)n2c(\C=C\C=C\c3ccccc3)ccc2C=C2C=CC(CCC(=O)NCC#C)=[N+]12

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