[3-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
기본 정보
- CAS
641571-22-4- 표준 SMILES
CN1CCN(c2cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)CC1- InChIKey
HZPQJOQYIREUHZ-UHFFFAOYSA-N- 분자식
- C17H24F3N3O2
- 평균 분자량
- 359.4 g/mol
- 단동위원소 질량
- 359.18206167
이름 및 식별자
- 우선 이름
- [3-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamate
이름 및 동의어
641571-22-4[3-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-phenyl]-carbamic acid tert-butyl esterSCHEMBL4929590DTXSID101117320tert-butyl 3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenylcarbamateDB-335635tert-Butyl [3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamate[3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]-carbamic acid, 1,1-dimethylethyl esterCarbamic acid, [3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
641571-22-4- PubChem CID
- 69244832
- DTXSID
DTXSID101117320
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 457
관련 반응
3건
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