기본 정보
- 표준 SMILES
COc1ccc(CCN(CCCN2C(=O)c3c(cc(Br)c4nc(-c5ccc(C)c([N+](=O)[O-])c5)[nH]c34)C(C)(C)C2=O)C(=O)OC(C)(C)C)cc1OC- InChIKey
SOUFFSYKEIUFSF-UHFFFAOYSA-N- 분자식
- C37H42BrN5O8
- 평균 분자량
- 764.7 g/mol
- 단동위원소 질량
- 763.22168
이름 및 식별자
- 우선 이름
- tert-Butyl {3-[4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-1,6,7,9-tetrahydro-8H-imidazo[4,5-h]isoquinolin-8-yl]propyl}[2-(3,4-dimethoxyphenyl)ethyl]carbamate
- IUPAC
- tert-butyl N-[3-[4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-1H-imidazo[4,5-h]isoquinolin-8-yl]propyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
이름 및 동의어
SCHEMBL5465832SOUFFSYKEIUFSF-UHFFFAOYSA-NMFCD32642031SY265105E70159tert-Butyl (3-(4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-3,6,7,9-tetrahydro-8H-imidazo[4,5-h]isoquinolin-8-yl)propyl)(3,4-dimethoxyphenethyl)carbamatetert-Butyl {3-[4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-1,6,7,9-tetrahydro-8H-imidazo[4,5-h]isoquinolin-8-yl]propyl}[2-(3,4-dimethoxyphenyl)ethyl]carbamatetert-butyl N-[3-[4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-1H-imidazo[4,5-h]isoquinolin-8-yl]propyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]carbamatetert-Butyl{3-[4-bromo-6,6-dimethyl-2-(4-methyl-3-nitrophenyl)-7,9-dioxo-1,6,7,9-tetrahydro-8H-imidazo[4,5-h]isoquinolin-8-yl]propyl}[2-(3,4-dimethoxyphenyl)ethyl]carbamate
데이터베이스 식별자
- PubChem CID
- 59645483
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,270
관련 반응
3건
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