(2'-Benzyloxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

HCID 86626864

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1cc(CN(Cc2cc(C(F)(F)F)ccc2-c2ccccc2OCc2ccccc2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
InChIKey: YWMIWCMNCQGNCX-UHFFFAOYSA-N
분자식: C38H31F9N4O2
평균 분자량: 746.7 g/mol

이름 및 식별자

우선 이름: (2'-Benzyloxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine
IUPAC: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-N-[[2-(2-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

이름 및 동의어

(2'-benzyloxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amineSCHEMBL133767

데이터베이스 식별자

PubChem CID: 86626864

물성

구조 계산 물성

XLogP: 9.1
극성 표면적: 50.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 15
회전 가능 결합 수: 10
무거운 원자 수: 53
형식 전하: 0
복잡도: 1,080

관련 반응

4건

반응 기록 만들기

HRID 115580 반응식

HRID 115580반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 604114 반응식

HRID 604114생성물로uspto-grants-2011_03

HRID 604115 반응식

HRID 604115반응물로uspto-grants-2011_03

HRID 939992 반응식

HRID 939992생성물로Validation data from https://doi.org/10.1039/C8SC04228D

화합물 노트

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(2'-Benzyloxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine (HCID 86626864)｜Huagongshe