5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1,2-oxazole-3-carboxamide
기본 정보
- CAS
912906-93-5- 표준 SMILES
CC1Cc2cc(-c3cc(C(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)no3)ccc2O1- InChIKey
PVJDOAXNKNFPBC-UHFFFAOYSA-N- 분자식
- C24H25N3O5S
- 평균 분자량
- 467.5 g/mol
- 단동위원소 질량
- 467.15149208
이름 및 식별자
- 우선 이름
- 5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1,2-oxazole-3-carboxamide
- IUPAC
- 5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
이름 및 동의어
912906-93-53-Isoxazolecarboxamide, 5-(2,3-dihydro-2-methyl-5-benzofuranyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-DTXSID4011149015-(2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL)-N-[4-(PIPERIDINE-1-SULFONYL)PHENYL]-1,2-OXAZOLE-3-CARBOXAMIDEMFCD12918403STK820678AKOS001532070AKOS0163293055-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1,2-oxazole-3-carboxamideZINC000027793017ZINC000027793020ST50800600
이름 더 보기
5(2methyl23dihydro1benzofuran5yl)N(4(piperidin1ylsulfonyl)phenyl)12oxazole3carboxamide5(2methyl23dihydro1benzofuran5yl)N(4piperidin1ylsulfonylphenyl)12oxazole3carboxamideCC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5(5(2METHYL(23DIHYDROBENZO(B)FURAN5YL))ISOXAZOL3YL)N(4(PIPERIDYLSULFONYL)PHENYL)CARBOXAMIDE[5-(2-methyl(2,3-dihydrobenzo[b]furan-5-yl))isoxazol-3-yl]-N-[4-(piperidylsulf onyl)phenyl]carboxamide5-(2,3-Dihydro-2-methyl-5-benzofuranyl)-N-[4-(1-piperidinylsulfonyl)phenyl]-3-isoxazolecarboxamide
데이터베이스 식별자
- CAS
912906-93-5- PubChem CID
- 43842795
- DTXSID
DTXSID401114901
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 788
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