4-(3-{[(5'-Isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-phenoxy)butyric acid
기본 정보
- 표준 SMILES
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(OCCCC(=O)O)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1- InChIKey
BFYGNNYKNGLPAI-UHFFFAOYSA-N- 분자식
- C38H40F6N4O5
- 평균 분자량
- 746.7 g/mol
- 단동위원소 질량
- 746.29028936
이름 및 식별자
- 우선 이름
- 4-(3-{[(5'-Isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-phenoxy)butyric acid
- IUPAC
- 4-[3-[[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-5-(trifluoromethyl)phenoxy]butanoic acid
이름 및 동의어
4-(3-{[(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-phenoxy)butyric acidSCHEMBL1588112
데이터베이스 식별자
- PubChem CID
- 86626899
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 97.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
3건
화합물 노트
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