기본 정보
- 표준 SMILES
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3F)c2)CCN1C- InChIKey
OIWUQEAHOKBPLH-MHZLTWQESA-N- 분자식
- C38H49FN4O3
- 평균 분자량
- 628.8 g/mol
이름 및 식별자
- 우선 이름
- 1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[[3-[3-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]-4-fluorophenyl]methylcarbamoyl]phenyl]methyl]piperidine-1-carboxylate
이름 및 동의어
1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate1,1-dimethylethyl 4-{[3-({[(3'-{[(3S)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylateSCHEMBL1631553OIWUQEAHOKBPLH-MHZLTWQESA-N1-dimethylethyl 4-{[3-({[(3'-{[(3s)-3,4-dimethyl-1-piperazinyl]methyl}-6-fluoro-3-biphenylyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylate
데이터베이스 식별자
- PubChem CID
- 57730433
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 981
관련 반응
3건
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