기본 정보
- 표준 SMILES
Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1B1OC(C)(C)C(C)(C)O1- InChIKey
QNMUPBKYOZRPBZ-UHFFFAOYSA-N- 분자식
- C22H28BNO3S
- 평균 분자량
- 397.3 g/mol
이름 및 식별자
- 우선 이름
- N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
- IUPAC
- N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
이름 및 동의어
910235-71-1N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamideSCHEMBL1068162SCHEMBL29709500QNMUPBKYOZRPBZ-UHFFFAOYSA-NDB-099586D870614,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid[2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylicacid [2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amideBenzo[b]thiophene-2-carboxamide, 4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Benzo[b]thiophene-2-carboxamide,4,5,6,7-tetrahydro-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
데이터베이스 식별자
- PubChem CID
- 58729134
물성
구조 계산 물성
- 극성 표면적
- 75.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 582
관련 반응
10건
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