기본 정보
- 표준 SMILES
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2sc3cc(C(=O)Nc4ccc(Cl)cc4)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1- InChIKey
PXIYAHHRGDULQZ-UHFFFAOYSA-N- 분자식
- C42H35Cl2N3O4S
- 평균 분자량
- 748.7 g/mol
이름 및 식별자
- 우선 이름
- [6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1piperidinyl)ethoxy]-phenyl]methanone
- IUPAC
- N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxamide
이름 및 동의어
SCHEMBL5319068PXIYAHHRGDULQZ-UHFFFAOYSA-N[6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]-phenyl] methanone[6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]-phenyl] methanone[6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]-phenyl]methanone[6-[n-(4-chlorophenyl)carbamoyl]-2-[4-[n-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl] methanone[6-[N-(4-chlorophenyl)carbamoyl]-2-[4-[N-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone[6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4-chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1piperidinyl)ethoxy]-phenyl]methanone[6-[N-(4-Chlorophenyl)carbamoyl]-2-[4-[N-(4chlorophenyl)carbamoyl]phenyl]benzo[b]thien-3-yl][4-[2-(1piperidinyl)ethoxy]-phenyl]methanone
데이터베이스 식별자
- PubChem CID
- 18357247
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
17건
화합물 노트
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