기본 정보
- CAS
117525-13-0- 표준 SMILES
C#CCc1c(C)nc2c(OCc3c(C)cccc3NC(=O)OC)cccn12- InChIKey
KQBUDLWYGUXLKL-UHFFFAOYSA-N- 분자식
- C21H21N3O3
- 평균 분자량
- 363.4 g/mol
- 단동위원소 질량
- 363.15829154
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 8-(2-Methoxycarbonylamino-6-methylbenzyloxy)-2-methyl-3-(2-propynyl)imidazo(1,2-a)pyridine
- IUPAC
- methyl N-[3-methyl-2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]carbamate
- 영어명
- 8-(2-methoxycarbonylamino-6-methylbenzyloxy)-2-methyl-3-(2-propynyl)imidazo(1,2-a)pyridine
- 분자식
- C21H21N3O3
- 분자량
- 363.41
이름 및 동의어
8-Mcmbmipp117525-13-08-(2-Methoxycarbonylamino-6-methylbenzyloxy)-2-methyl-3-(2-propynyl)imidazo(1,2-a)pyridine8-(2-methoxycarbonylamino-6-methylbenzyloxy)-2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridineRefChem:914479methyl N-[3-methyl-2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]carbamateMethyl (3-methyl-2-(((2-methyl-3-(prop-2-yn-1-yl)imidazo[1,2-a]pyridin-8-yl)oxy)methyl)phenyl)carbamateSCHEMBL9685702DTXSID00922455KQBUDLWYGUXLKL-UHFFFAOYSA-NMethyl hydrogen [3-methyl-2-({[2-methyl-3-(prop-2-yn-1-yl)imidazo[1,2-a]pyridin-8-yl]oxy}methyl)phenyl]carbonimidateCarbamic acid, [3-methyl-2-[[[2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridin-8-yl]oxy]methyl]phenyl]-, methyl ester (9CI)
데이터베이스 식별자
- CAS
117525-13-0- PubChem CID
- 195217
- DTXSID
DTXSID00922455
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 64.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 560
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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