기본 정보
- 표준 SMILES
CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1I- InChIKey
NZLAPZOGWDICIY-UHFFFAOYSA-N- 분자식
- C18H31IN4O3
- 평균 분자량
- 478.4 g/mol
이름 및 식별자
- 우선 이름
- (2-{[3-Iodo-1-(tetrahydropyran-2-yl)-1H-pyrazol-4-ylmethyl]-methylamino}-ethyl)-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
이름 및 동의어
1782069-01-5(2-{[3-Iodo-1-(tetrahydropyran-2-yl)-1H-pyrazol-4-ylmethyl]-methylamino}-ethyl)-methyl-carbamic acid tert-butyl esterMFCD29918657Tert-butyl N-[2-[[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamatetert-butyl (2-(((3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methyl)(methyl)amino)ethyl)(methyl)carbamatetert-butyl N-[2-[(3-iodo-1-tetrahydropyran-2-yl-pyrazol-4-yl)methyl-methyl-amino]ethyl]-N-methyl-carbamatetert-butylN-[2-[(3-iodo-1-tetrahydropyran-2-yl-pyrazol-4-yl)methyl-methyl-amino]ethyl]-N-methyl-carbamatetert-butyl N-[2-([[3-iodo-1-(oxan-2-yl)-1H-pyrazol-4-yl]methyl](methyl)amino)ethyl]-N-methylcarbamatetert-butyl N-[2-({[3-iodo-1-(oxan-2-yl)-1H-pyrazol-4-yl]methyl}(methyl)amino)ethyl]-N-methylcarbamateSCHEMBL16068180C18H31IN4O3NZLAPZOGWDICIY-UHFFFAOYSA-N
이름 더 보기
DB-144568D96642F545423(2-{[3-Iodo-1-(tetrahydro-pyran-2-yl)-1H-pyrazol-4-ylmethyl]-methyl-amino}-ethyl)-methyl-carbamic acid tert-butyl esterN-(2-{[[3-Iodo-1-(tetrahydropyran-2-yl)-1H-pyrazol-4-yl]methyl]methylamino}ethyl)-N-methyl carbamic acid t-butyl estertert-butyl N-[2-([3-iodo-1-(oxan-2-yl)-1H-pyrazol-4-yl]methyl(methyl)amino)ethyl]-N-methylcarbamate
데이터베이스 식별자
- PubChem CID
- 90433930
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 59.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 460
관련 반응
11건
화합물 노트
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