(1-[4-(2-Acetylamino-4-methyl-thiazol-5-yl)-5-bromo-thiophene-2-sulfonyl]-piperidin-4-yl}-methyl-carbamic acid tert-butyl ester
기본 정보
- 표준 SMILES
CC(=O)Nc1nc(C)c(-c2cc(S(=O)(=O)N3CCC(N(C)C(=O)OC(C)(C)C)CC3)sc2Br)s1- InChIKey
XNRXTBRFBPPMGH-UHFFFAOYSA-N- 분자식
- C21H29BrN4O5S3
- 평균 분자량
- 593.6 g/mol
- 단동위원소 질량
- 592.04835
이름 및 식별자
- 우선 이름
- (1-[4-(2-Acetylamino-4-methyl-thiazol-5-yl)-5-bromo-thiophene-2-sulfonyl]-piperidin-4-yl}-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-5-bromothiophen-2-yl]sulfonylpiperidin-4-yl]-N-methylcarbamate
이름 및 동의어
(1-[4-(2-Acetylamino-4-methyl-thiazol-5-yl)-5-bromo-thiophene-2-sulfonyl]-piperidin-4-yl}-methyl-carbamic acid tert-butyl ester{1-[4-(2-Acetylamino-4-methyl-thiazol-5-yl)-5-bromo-thiophene-2-sulfonyl]-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester{1-[4-(2-Acetylamino-4-methyl-thiazol-5-yl)-5-bromo-thiophene-2-sulfonyl]-piperidin-4-yl}-methyl-carbamic Acid Tert-Butyl EsterSCHEMBL1237793XNRXTBRFBPPMGH-UHFFFAOYSA-N
데이터베이스 식별자
- PubChem CID
- 86652444
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 857
관련 반응
3건
화합물 노트
불러오는 중…