기본 정보
- CAS
438237-26-4- 표준 SMILES
O=C(NCCN1CCN(C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)CC1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1- InChIKey
POZGTDWEJWYFKK-UHFFFAOYSA-N- 분자식
- C30H21Cl2F6N9O2S2
- 평균 분자량
- 788.6 g/mol
- 단동위원소 질량
- 787.0540877
이름 및 식별자
- 우선 이름
- 5-(5-chlorothiophen-2-yl)-N-[2-[4-[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(5-chlorothiophen-2-yl)-N-[2-[4-[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(5-chloro-2-thienyl)-N-[2-(4-{[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1-piperazinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C30H21Cl2F6N9O2S2
- 분자량
- 788.5732592
이름 및 동의어
5-(5-chlorothiophen-2-yl)-N-[2-[4-[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(5-chlorothiophen-2-yl)-N-[2-(4-{[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}piperazin-1-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/41923731STK449717AKOS003293524ST50832473[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2 -yl)]-N-[2-(4-{[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1, 5-a]pyrimidin-2-yl)]carbonyl}piperazinyl)ethyl]carboxamide438237-26-45-(5-chloro-2-thienyl)-N-[2-(4-{[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1-piperazinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,270
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