1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-
기본 정보
- CAS
102395-51-7- 표준 SMILES
CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O- InChIKey
BKMRLPDOTVKGIM-UHFFFAOYSA-N- 분자식
- C23H25N3OS
- 평균 분자량
- 391.5 g/mol
- 단동위원소 질량
- 391.1718336
이름 및 식별자
- 우선 이름
- 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-
- IUPAC
- 8-(1-benzothiophen-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
이름 및 동의어
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-102395-51-7DTXSID80145009RefChem:1052652DTXCID5067500NSC6653358-(1-Benzothiophen-3-ylmethyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane8-(Benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneCHEMBL11697288-(1-Benzothien-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneCHEMBL1199909BDBM50322234
이름 더 보기
NSC-6653358-[(1-benzothiophen-3-yl)methyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneNCI60_0225458-(benzothiophen-3-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one8-(Benzo[b]thiophen-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one oxalate
데이터베이스 식별자
- CAS
102395-51-7- PubChem CID
- 380039
- DTXSID
DTXSID80145009- ChEMBL
CHEMBL1169728、CHEMBL1199909- Nikkaji
- J154.059I
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 55 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 570
관련 반응
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