BDP 581/591 alkyne
HIT218847534
sdf文件结构编辑类似物检索
HIT ID: HIT218847534
Cas No: 2006345-34-0
分子式: C25H22BF2N3O
分子量: 429.28
常用名: BDP 581/591 alkyne
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: OLFSHALJABVHGP-JMQWPVDRSA-N
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