2-(Benzo[b]thiophen-2-yl-phenyl-methyl)-3-hydroxy-4-methyl-4-phenyl-cyclobut-2-enone (HCID 59264911)

기본 정보

표준 SMILES: CC1(c2ccccc2)C(=O)C(C(c2ccccc2)c2cc3ccccc3s2)=C1O
InChIKey: CFDFYCVKETXDFF-UHFFFAOYSA-N
분자식: C26H20O2S
평균 분자량: 396.5 g/mol
단동위원소 질량: 396.11840105

이름 및 식별자

우선 이름: 2-(Benzo[b]thiophen-2-yl-phenyl-methyl)-3-hydroxy-4-methyl-4-phenyl-cyclobut-2-enone
IUPAC: 2-[1-benzothiophen-2-yl(phenyl)methyl]-3-hydroxy-4-methyl-4-phenylcyclobut-2-en-1-one

이름 및 동의어

SCHEMBL3280557CFDFYCVKETXDFF-UHFFFAOYSA-N2-(Benzo[b]thiophen-2-yl-pheny-methyl)-3-hydroxy-4-methyl-4-phenyl-cyclobut-2-enone2-(Benzo[b]thiophen-2-yl-phenyl-methyl)-3-hydroxy-4-methyl-4-phenyl-cyclobut-2-enone

데이터베이스 식별자

PubChem CID: 59264911

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 658

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