(3aR,6aR)-5-methyl-1-[4'-(1-methyl-1H-pyrazol-4-yl)-1,1'-biphenyl-4-yl]octahydropyrrolo[3,4-b]pyrrole (HCID 24743846)

기본 정보

표준 SMILES: CN1C[C@H]2CCN(c3ccc(-c4ccc(-c5cnn(C)c5)cc4)cc3)[C@H]2C1
InChIKey: ZFJAACHKPGOKTC-OFNKIYASSA-N
분자식: C23H26N4
평균 분자량: 358.5 g/mol

이름 및 식별자

우선 이름: (3aR,6aR)-5-methyl-1-[4'-(1-methyl-1H-pyrazol-4-yl)-1,1'-biphenyl-4-yl]octahydropyrrolo[3,4-b]pyrrole
IUPAC: (3aR,6aR)-5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

이름 및 동의어

SCHEMBL3063479ZFJAACHKPGOKTC-OFNKIYASSA-N(3aR,6aR)-5-methyl-1-[4'-(1-methyl-1H-pyrazol-4-yl )-1,1'-biphenyl-4-yl]octahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-5-methyl-1-[4'-(1-methyl-1H-pyrazol-4-yl)-1,1'-biphenyl-4-yl]octahydropyrrolo[3,4-b]pyrrole

데이터베이스 식별자

PubChem CID: 24743846

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 24.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 27
형식 전하: 0
복잡도: 495

화합물 노트

불러오는 중…