Methyl 2-methyl-2-{4-[({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}propanoate
기본 정보
- 표준 SMILES
COC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1- InChIKey
VLAMAIWHCJZRDV-UHFFFAOYSA-N- 분자식
- C24H29F3N2O3
- 평균 분자량
- 450.5 g/mol
- 단동위원소 질량
- 450.21302728
이름 및 식별자
- 우선 이름
- Methyl 2-methyl-2-{4-[({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}propanoate
- IUPAC
- methyl 2-methyl-2-[4-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methylamino]piperidin-1-yl]propanoate
이름 및 동의어
Methyl 2-methyl-2-{4-[({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1-piperidinyl}propanoateSCHEMBL3797015methyl 2-methyl-2-{4-[({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-1 piperidinyl}propanoatemethyl 2-methyl-2-{4-[({4'-[(trifluoromethyl)oxy]-4-biphenylyl}methyl)amino]-l piperidinyl}propanoate
데이터베이스 식별자
- PubChem CID
- 59707041
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 50.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 590
관련 반응
1건
화합물 노트
불러오는 중…