3-amino-N-[4-chloro-2-(phenylcarbonyl)phenyl]-4-(4-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
기본 정보
- CAS
836646-70-9- 표준 SMILES
Nc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c12- InChIKey
CYSUZKFQMFXOHI-UHFFFAOYSA-N- 분자식
- C31H19ClFN3O2S2
- 평균 분자량
- 584.1 g/mol
- 단동위원소 질량
- 583.0591251
이름 및 식별자
- 우선 이름
- 3-amino-N-[4-chloro-2-(phenylcarbonyl)phenyl]-4-(4-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-amino-N-(2-benzoyl-4-chlorophenyl)-4-(4-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
이름 및 동의어
ZINC1009713083-AMINO-N-(2-BENZOYL-4-CHLOROPHENYL)-4-(4-FLUOROPHENYL)-6-(THIOPHEN-2-YL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDEDTXSID201111018MFCD03691788STK788830AKOS002212794836646-70-9ZINC000100971308ST501301263aminoN(2benzoyl4chlorophenyl)4(4fluorophenyl)6(thiophen2yl)thieno(23b)pyridine2carboxamide3aminoN(2benzoyl4chlorophenyl)4(4fluorophenyl)6thiophen2ylthieno(23b)pyridine2carboxamide(3AMINO4(4FLUOROPHENYL)6(2THIENYL)THIOPHENO(23B)PYRIDIN2YL)N(4CHLORO2(PHENYLCARBONYL)PHENYL)CARBOXAMIDE
이름 더 보기
[3-amino-4-(4-fluorophenyl)-6-(2-thienyl)thiopheno[2,3-b]pyridin-2-yl]-N-[4-ch loro-2-(phenylcarbonyl)phenyl]carboxamide3-Amino-N-(2-benzoyl-4-chlorophenyl)-4-(4-fluorophenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide3aminoN(4chloro2(phenylcarbonyl)phenyl)4(4fluorophenyl)6(thiophen2yl)thieno(23b)pyridine2carboxamideC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=C(C4=C(S3)N=C(C=C4C5=CC=C(C=C5)F)C6=CC=CS6)N
데이터베이스 식별자
- CAS
836646-70-9
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 902
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