기본 정보
- CAS
1423007-82-2- 표준 SMILES
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3cc(Cl)c4c(c3)COB4O)S(C)(=O)=O)c(C3CC3)cc12- InChIKey
ATSKNKMCQXHIRK-UHFFFAOYSA-N- 분자식
- C27H23BClFN2O6S
- 평균 분자량
- 568.8 g/mol
- 단동위원소 질량
- 568.1042437
이름 및 식별자
- 우선 이름
- 6-((7-Chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino)-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
- IUPAC
- 6-[(7-chloro-1-hydroxy-3H-2,1-benzoxaborol-5-yl)-methylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
- 영어명
- 6-[N-(7-chloro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methanesulfonamido]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
- 분자식
- C27H23BClFN2O6S
- 분자량
- 568.81
이름 및 동의어
6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide6-((7-Chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino)-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamideRefChem:9137231423007-82-2GSK8175GSK-2878175CHEMBL44672593-Benzofurancarboxamide, 6-[(7-chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(N-(7-chloro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)methylsulfonamido)-5-cyclopropyl-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide6-[(7-chloro-1-hydroxy-3H-2,1-benzoxaborol-5-yl)-methylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamideorb1700465SCHEMBL15251097
이름 더 보기
GSK-175GSK-175A)GSK-2878175 (GSK2878175
물성
구조 계산 물성
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,020
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