1,1-Dimethylethyl {[1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1- InChIKey
JJGYTMHQDIPRRT-UHFFFAOYSA-N- 분자식
- C22H23F3IN3O4
- 평균 분자량
- 577.3 g/mol
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl {[1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate
- IUPAC
- tert-butyl N-[[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl]methyl]carbamate
이름 및 동의어
SCHEMBL3111682JJGYTMHQDIPRRT-UHFFFAOYSA-N1,1-dimethylethyl {[1-({3,4-difluoro-2 [(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate1,1-Dimethylethyl {[1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate1,1-dimethylethyl {[1-({3,4-difluoro-2[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidine-3-yl]methyl}carbamate
데이터베이스 식별자
- PubChem CID
- 68516053
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 90.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 719
관련 반응
8건
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