Ethyl 2-[(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidine-5-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2-c2cc(C(C)C)ccc2OC)nc1- InChIKey
NLGLSMMHOBOKFX-UHFFFAOYSA-N- 분자식
- C34H30F9N3O3
- 평균 분자량
- 699.6 g/mol
- 단동위원소 질량
- 699.21434529
이름 및 식별자
- 우선 이름
- Ethyl 2-[(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylate
이름 및 동의어
ethyl 2-[(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-pyrimidine-5-carboxylateSCHEMBL128255
데이터베이스 식별자
- PubChem CID
- 86626869
물성
구조 계산 물성
- XLogP
- 9.2
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
3건
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